USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 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= 0.871 K(o=3.1,f=1.5) USER MOD Set 1.2: A 195 ASN : amide:sc= 0.778 K(o=3.1,f=0.93) USER MOD Set 1.3: A 198 CYS SG : rot 29:sc= 1.42 USER MOD Single : A 158 LYS NZ :NH3+ 168:sc=-0.00429 (180deg=-0.162) USER MOD Single : A 164 TYR OH : rot -75:sc= -0.707 USER MOD Single : A 169 TYR OH : rot 165:sc= 0.318 USER MOD Single : A 170 LYS NZ :NH3+ -164:sc= 1.81 (180deg=1.2) USER MOD Single : A 171 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= -1.03 K(o=-1,f=-0.041) USER MOD Single : A 182 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.942) USER MOD Single : A 183 ASN : amide:sc= -5.25! C(o=-5.3!,f=-3.2!) USER MOD Single : A 186 THR OG1 : rot 48:sc= 0.823 USER MOD Single : A 188 THR OG1 : rot 26:sc= 1.03 USER MOD Single : A 192 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.029) USER MOD Single : A 193 ASN : amide:sc= 0.681 K(o=0.68,f=-1.5) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 214 MET CE :methyl 148:sc= -1.98 (180deg=-4.58!) USER MOD Single : A 215 MET CE :methyl -160:sc= -1.21 (180deg=-2.47!) USER MOD Single : A 216 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 218 CYS SG : rot -20:sc= 1.02 USER MOD Single : B 2 THR OG1 : rot -168:sc= -3.59! 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 10.196 9.351 4.603 1.00 0.00 N ATOM 171 CA ILE A 150 9.335 8.236 4.229 1.00 0.00 C ATOM 172 C ILE A 150 10.149 7.129 3.551 1.00 0.00 C ATOM 173 O ILE A 150 9.714 5.983 3.464 1.00 0.00 O ATOM 174 CB ILE A 150 8.190 8.713 3.300 1.00 0.00 C ATOM 175 CG1 ILE A 150 7.140 7.613 3.102 1.00 0.00 C ATOM 176 CG2 ILE A 150 8.741 9.166 1.955 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.449 7.202 4.382 1.00 0.00 C ATOM 0 HA ILE A 150 8.891 7.830 5.138 1.00 0.00 H new ATOM 0 HB ILE A 150 7.705 9.562 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 150 6.392 7.960 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.619 6.739 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.920 9.497 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 150 9.438 9.990 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 150 9.260 8.336 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.720 6.421 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 150 7.188 6.824 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.941 8.064 4.814 1.00 0.00 H new ATOM 189 N LEU A 151 11.354 7.479 3.105 1.00 0.00 N ATOM 190 CA LEU A 151 12.248 6.522 2.460 1.00 0.00 C ATOM 191 C LEU A 151 12.849 5.569 3.486 1.00 0.00 C ATOM 192 O LEU A 151 13.294 4.469 3.146 1.00 0.00 O ATOM 193 CB LEU A 151 13.369 7.257 1.723 1.00 0.00 C ATOM 194 CG LEU A 151 12.910 8.185 0.600 1.00 0.00 C ATOM 195 CD1 LEU A 151 14.102 8.886 -0.029 1.00 0.00 C ATOM 196 CD2 LEU A 151 12.127 7.411 -0.451 1.00 0.00 C ATOM 0 H LEU A 151 11.734 8.423 3.179 1.00 0.00 H new ATOM 0 HA LEU A 151 11.665 5.944 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.936 7.842 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.053 6.518 1.305 1.00 0.00 H new ATOM 0 HG LEU A 151 12.251 8.941 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.758 9.543 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.619 9.475 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.786 8.143 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.809 8.091 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.760 6.631 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 151 11.250 6.956 0.010 1.00 0.00 H new ATOM 208 N ASP A 152 12.857 5.999 4.744 1.00 0.00 N ATOM 209 CA ASP A 152 13.387 5.185 5.831 1.00 0.00 C ATOM 210 C ASP A 152 12.330 4.197 6.307 1.00 0.00 C ATOM 211 O ASP A 152 12.639 3.196 6.954 1.00 0.00 O ATOM 212 CB ASP A 152 13.844 6.072 6.996 1.00 0.00 C ATOM 213 CG ASP A 152 14.485 5.281 8.125 1.00 0.00 C ATOM 214 OD1 ASP A 152 15.694 4.982 8.033 1.00 0.00 O ATOM 215 OD2 ASP A 152 13.787 4.961 9.111 1.00 0.00 O ATOM 0 H ASP A 152 12.501 6.909 5.036 1.00 0.00 H new ATOM 0 HA ASP A 152 14.249 4.631 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 152 14.556 6.810 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.987 6.622 7.385 1.00 0.00 H new ATOM 221 N ILE A 153 11.078 4.477 5.967 1.00 0.00 N ATOM 222 CA ILE A 153 9.970 3.611 6.347 1.00 0.00 C ATOM 223 C ILE A 153 9.975 2.358 5.480 1.00 0.00 C ATOM 224 O ILE A 153 9.488 2.370 4.352 1.00 0.00 O ATOM 225 CB ILE A 153 8.604 4.319 6.206 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.639 5.704 6.862 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.498 3.470 6.822 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.937 5.681 8.344 1.00 0.00 C ATOM 0 H ILE A 153 10.805 5.299 5.428 1.00 0.00 H new ATOM 0 HA ILE A 153 10.107 3.349 7.396 1.00 0.00 H new ATOM 0 HB ILE A 153 8.395 4.447 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.392 6.312 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.678 6.193 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.542 3.983 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.452 2.507 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.707 3.312 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.943 6.700 8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 153 8.171 5.102 8.860 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.912 5.223 8.512 1.00 0.00 H new ATOM 240 N ARG A 154 10.550 1.289 6.006 1.00 0.00 N ATOM 241 CA ARG A 154 10.681 0.044 5.267 1.00 0.00 C ATOM 242 C ARG A 154 10.167 -1.109 6.110 1.00 0.00 C ATOM 243 O ARG A 154 10.372 -1.133 7.324 1.00 0.00 O ATOM 244 CB ARG A 154 12.145 -0.190 4.890 1.00 0.00 C ATOM 245 CG ARG A 154 12.741 0.939 4.068 1.00 0.00 C ATOM 246 CD ARG A 154 14.204 0.696 3.757 1.00 0.00 C ATOM 247 NE ARG A 154 14.807 1.827 3.050 1.00 0.00 N ATOM 248 CZ ARG A 154 16.035 1.804 2.530 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.770 0.702 2.608 1.00 0.00 N ATOM 250 NH2 ARG A 154 16.516 2.882 1.917 1.00 0.00 N ATOM 0 H ARG A 154 10.936 1.259 6.950 1.00 0.00 H new ATOM 0 HA ARG A 154 10.090 0.107 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.732 -0.317 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.224 -1.120 4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.184 1.044 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.636 1.879 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.747 0.516 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.302 -0.205 3.151 1.00 0.00 H new ATOM 0 HE ARG A 154 14.257 2.680 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 154 16.396 -0.129 3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.709 0.686 2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 154 15.946 3.725 1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 154 17.455 2.866 1.519 1.00 0.00 H new ATOM 264 N GLN A 155 9.505 -2.055 5.465 1.00 0.00 N ATOM 265 CA GLN A 155 8.870 -3.159 6.167 1.00 0.00 C ATOM 266 C GLN A 155 9.917 -4.119 6.717 1.00 0.00 C ATOM 267 O GLN A 155 10.831 -4.532 6.001 1.00 0.00 O ATOM 268 CB GLN A 155 7.926 -3.904 5.224 1.00 0.00 C ATOM 269 CG GLN A 155 6.983 -4.865 5.933 1.00 0.00 C ATOM 270 CD GLN A 155 6.213 -5.744 4.968 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.957 -5.364 3.827 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.812 -6.919 5.428 1.00 0.00 N ATOM 0 H GLN A 155 9.393 -2.081 4.452 1.00 0.00 H new ATOM 0 HA GLN A 155 8.298 -2.754 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.337 -3.177 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.518 -4.460 4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.556 -5.494 6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.280 -4.296 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 155 6.044 -7.200 6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 155 5.271 -7.543 4.830 1.00 0.00 H new ATOM 281 N GLY A 156 9.788 -4.452 7.994 1.00 0.00 N ATOM 282 CA GLY A 156 10.674 -5.420 8.607 1.00 0.00 C ATOM 283 C GLY A 156 10.440 -6.816 8.063 1.00 0.00 C ATOM 284 O GLY A 156 9.354 -7.100 7.557 1.00 0.00 O ATOM 0 H GLY A 156 9.081 -4.066 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.709 -5.129 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.523 -5.420 9.686 1.00 0.00 H new ATOM 288 N PRO A 157 11.435 -7.714 8.173 1.00 0.00 N ATOM 289 CA PRO A 157 11.372 -9.064 7.589 1.00 0.00 C ATOM 290 C PRO A 157 10.137 -9.849 8.023 1.00 0.00 C ATOM 291 O PRO A 157 9.575 -10.617 7.242 1.00 0.00 O ATOM 292 CB PRO A 157 12.647 -9.749 8.103 1.00 0.00 C ATOM 293 CG PRO A 157 13.139 -8.888 9.218 1.00 0.00 C ATOM 294 CD PRO A 157 12.699 -7.491 8.884 1.00 0.00 C ATOM 0 HA PRO A 157 11.304 -9.018 6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.436 -10.760 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.393 -9.833 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.724 -9.210 10.173 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.224 -8.945 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.559 -6.885 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.429 -6.974 8.261 1.00 0.00 H new ATOM 302 N LYS A 158 9.716 -9.656 9.265 1.00 0.00 N ATOM 303 CA LYS A 158 8.536 -10.335 9.777 1.00 0.00 C ATOM 304 C LYS A 158 7.550 -9.329 10.347 1.00 0.00 C ATOM 305 O LYS A 158 6.710 -9.665 11.184 1.00 0.00 O ATOM 306 CB LYS A 158 8.913 -11.370 10.841 1.00 0.00 C ATOM 307 CG LYS A 158 9.757 -12.518 10.305 1.00 0.00 C ATOM 308 CD LYS A 158 9.911 -13.633 11.329 1.00 0.00 C ATOM 309 CE LYS A 158 8.582 -14.317 11.622 1.00 0.00 C ATOM 310 NZ LYS A 158 8.043 -15.033 10.435 1.00 0.00 N ATOM 0 H LYS A 158 10.173 -9.037 9.934 1.00 0.00 H new ATOM 0 HA LYS A 158 8.063 -10.859 8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.459 -10.872 11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.001 -11.775 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.297 -12.916 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.742 -12.145 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.626 -14.369 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.321 -13.225 12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 158 8.712 -15.024 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 158 7.858 -13.573 11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 7.255 -15.645 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 7.704 -14.341 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 8.793 -15.614 10.010 1.00 0.00 H new ATOM 324 N GLU A 159 7.662 -8.089 9.892 1.00 0.00 N ATOM 325 CA GLU A 159 6.734 -7.048 10.295 1.00 0.00 C ATOM 326 C GLU A 159 5.458 -7.167 9.476 1.00 0.00 C ATOM 327 O GLU A 159 5.506 -7.204 8.244 1.00 0.00 O ATOM 328 CB GLU A 159 7.351 -5.658 10.106 1.00 0.00 C ATOM 329 CG GLU A 159 6.403 -4.521 10.464 1.00 0.00 C ATOM 330 CD GLU A 159 7.003 -3.151 10.219 1.00 0.00 C ATOM 331 OE1 GLU A 159 8.055 -3.068 9.551 1.00 0.00 O ATOM 332 OE2 GLU A 159 6.426 -2.148 10.688 1.00 0.00 O ATOM 0 H GLU A 159 8.387 -7.782 9.244 1.00 0.00 H new ATOM 0 HA GLU A 159 6.505 -7.174 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.248 -5.580 10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.665 -5.546 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.488 -4.621 9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.122 -4.606 11.514 1.00 0.00 H new ATOM 340 N PRO A 160 4.301 -7.261 10.146 1.00 0.00 N ATOM 341 CA PRO A 160 3.012 -7.339 9.467 1.00 0.00 C ATOM 342 C PRO A 160 2.770 -6.108 8.610 1.00 0.00 C ATOM 343 O PRO A 160 3.060 -4.987 9.024 1.00 0.00 O ATOM 344 CB PRO A 160 1.991 -7.392 10.608 1.00 0.00 C ATOM 345 CG PRO A 160 2.763 -7.794 11.815 1.00 0.00 C ATOM 346 CD PRO A 160 4.162 -7.286 11.610 1.00 0.00 C ATOM 0 HA PRO A 160 2.952 -8.197 8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.514 -6.423 10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.199 -8.109 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.323 -7.369 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.757 -8.877 11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.298 -6.295 12.044 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.900 -7.941 12.073 1.00 0.00 H new ATOM 354 N PHE A 161 2.235 -6.327 7.413 1.00 0.00 N ATOM 355 CA PHE A 161 1.895 -5.235 6.508 1.00 0.00 C ATOM 356 C PHE A 161 0.927 -4.270 7.191 1.00 0.00 C ATOM 357 O PHE A 161 0.864 -3.089 6.856 1.00 0.00 O ATOM 358 CB PHE A 161 1.284 -5.802 5.224 1.00 0.00 C ATOM 359 CG PHE A 161 1.024 -4.778 4.159 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.058 -4.298 3.371 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.255 -4.297 3.947 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.817 -3.356 2.389 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.503 -3.357 2.969 1.00 0.00 C ATOM 364 CZ PHE A 161 0.534 -2.885 2.187 1.00 0.00 C ATOM 0 H PHE A 161 2.027 -7.256 7.046 1.00 0.00 H new ATOM 0 HA PHE A 161 2.799 -4.684 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.952 -6.564 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.346 -6.299 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.062 -4.664 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -1.070 -4.662 4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.630 -2.989 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.507 -2.990 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.342 -2.150 1.420 1.00 0.00 H new ATOM 374 N ARG A 162 0.194 -4.792 8.169 1.00 0.00 N ATOM 375 CA ARG A 162 -0.689 -3.988 8.997 1.00 0.00 C ATOM 376 C ARG A 162 0.121 -2.955 9.776 1.00 0.00 C ATOM 377 O ARG A 162 -0.166 -1.762 9.726 1.00 0.00 O ATOM 378 CB ARG A 162 -1.449 -4.898 9.960 1.00 0.00 C ATOM 379 CG ARG A 162 -2.483 -4.186 10.815 1.00 0.00 C ATOM 380 CD ARG A 162 -3.066 -5.140 11.843 1.00 0.00 C ATOM 381 NE ARG A 162 -4.138 -4.540 12.631 1.00 0.00 N ATOM 382 CZ ARG A 162 -4.401 -4.872 13.894 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.591 -5.695 14.551 1.00 0.00 N ATOM 384 NH2 ARG A 162 -5.451 -4.353 14.512 1.00 0.00 N ATOM 0 H ARG A 162 0.197 -5.784 8.407 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.402 -3.462 8.362 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -1.947 -5.679 9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -0.732 -5.392 10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -2.025 -3.335 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -3.279 -3.792 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.448 -6.025 11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.273 -5.474 12.512 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.718 -3.826 12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.765 -6.075 14.088 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.795 -5.947 15.518 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.060 -3.698 14.021 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.651 -4.608 15.479 1.00 0.00 H new ATOM 398 N ASP A 163 1.149 -3.430 10.476 1.00 0.00 N ATOM 399 CA ASP A 163 2.040 -2.561 11.245 1.00 0.00 C ATOM 400 C ASP A 163 2.792 -1.606 10.330 1.00 0.00 C ATOM 401 O ASP A 163 3.027 -0.445 10.678 1.00 0.00 O ATOM 402 CB ASP A 163 3.047 -3.396 12.038 1.00 0.00 C ATOM 403 CG ASP A 163 2.459 -4.022 13.285 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.566 -4.888 13.167 1.00 0.00 O ATOM 405 OD2 ASP A 163 2.910 -3.664 14.394 1.00 0.00 O ATOM 0 H ASP A 163 1.388 -4.420 10.527 1.00 0.00 H new ATOM 0 HA ASP A 163 1.425 -1.982 11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.440 -4.184 11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.889 -2.764 12.320 1.00 0.00 H new ATOM 411 N TYR A 164 3.168 -2.110 9.163 1.00 0.00 N ATOM 412 CA TYR A 164 3.895 -1.329 8.174 1.00 0.00 C ATOM 413 C TYR A 164 3.045 -0.158 7.694 1.00 0.00 C ATOM 414 O TYR A 164 3.478 0.992 7.749 1.00 0.00 O ATOM 415 CB TYR A 164 4.299 -2.230 7.002 1.00 0.00 C ATOM 416 CG TYR A 164 5.003 -1.516 5.866 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.065 -0.650 6.105 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.608 -1.719 4.551 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.708 -0.007 5.064 1.00 0.00 C ATOM 420 CE2 TYR A 164 5.249 -1.082 3.507 1.00 0.00 C ATOM 421 CZ TYR A 164 6.297 -0.230 3.768 1.00 0.00 C ATOM 422 OH TYR A 164 6.934 0.403 2.728 1.00 0.00 O ATOM 0 H TYR A 164 2.978 -3.070 8.876 1.00 0.00 H new ATOM 0 HA TYR A 164 4.798 -0.923 8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.951 -3.019 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.405 -2.715 6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.392 -0.477 7.120 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.785 -2.386 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.528 0.666 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.929 -1.252 2.490 1.00 0.00 H new ATOM 0 HH TYR A 164 6.660 1.343 2.700 1.00 0.00 H new ATOM 432 N VAL A 165 1.830 -0.455 7.252 1.00 0.00 N ATOM 433 CA VAL A 165 0.903 0.578 6.807 1.00 0.00 C ATOM 434 C VAL A 165 0.551 1.528 7.944 1.00 0.00 C ATOM 435 O VAL A 165 0.468 2.737 7.738 1.00 0.00 O ATOM 436 CB VAL A 165 -0.387 -0.044 6.221 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.516 0.970 6.165 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.116 -0.587 4.834 1.00 0.00 C ATOM 0 H VAL A 165 1.463 -1.405 7.192 1.00 0.00 H new ATOM 0 HA VAL A 165 1.403 1.146 6.022 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.695 -0.857 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.407 0.500 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.732 1.330 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.220 1.809 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.029 -1.023 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.218 0.223 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.658 -1.352 4.888 1.00 0.00 H new ATOM 448 N ASP A 166 0.374 0.978 9.142 1.00 0.00 N ATOM 449 CA ASP A 166 -0.022 1.765 10.308 1.00 0.00 C ATOM 450 C ASP A 166 0.900 2.966 10.514 1.00 0.00 C ATOM 451 O ASP A 166 0.434 4.093 10.702 1.00 0.00 O ATOM 452 CB ASP A 166 -0.024 0.890 11.563 1.00 0.00 C ATOM 453 CG ASP A 166 -0.489 1.637 12.795 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.714 1.733 13.008 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.367 2.139 13.554 1.00 0.00 O ATOM 0 H ASP A 166 0.499 -0.016 9.332 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.029 2.139 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.672 0.029 11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.981 0.505 11.734 1.00 0.00 H new ATOM 461 N ARG A 167 2.205 2.731 10.462 1.00 0.00 N ATOM 462 CA ARG A 167 3.170 3.806 10.663 1.00 0.00 C ATOM 463 C ARG A 167 3.454 4.553 9.363 1.00 0.00 C ATOM 464 O ARG A 167 3.674 5.764 9.375 1.00 0.00 O ATOM 465 CB ARG A 167 4.470 3.272 11.279 1.00 0.00 C ATOM 466 CG ARG A 167 5.114 2.137 10.503 1.00 0.00 C ATOM 467 CD ARG A 167 6.408 1.687 11.163 1.00 0.00 C ATOM 468 NE ARG A 167 7.009 0.548 10.479 1.00 0.00 N ATOM 469 CZ ARG A 167 8.169 0.598 9.834 1.00 0.00 C ATOM 470 NH1 ARG A 167 8.888 1.719 9.824 1.00 0.00 N ATOM 471 NH2 ARG A 167 8.621 -0.483 9.224 1.00 0.00 N ATOM 0 H ARG A 167 2.617 1.815 10.284 1.00 0.00 H new ATOM 0 HA ARG A 167 2.728 4.515 11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.184 4.092 11.358 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.263 2.931 12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.423 1.297 10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.316 2.460 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.115 2.516 11.174 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.211 1.422 12.202 1.00 0.00 H new ATOM 0 HE ARG A 167 6.508 -0.341 10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.549 2.547 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 167 9.778 1.750 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.080 -1.347 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 167 9.511 -0.453 8.726 1.00 0.00 H new ATOM 485 N PHE A 168 3.438 3.838 8.243 1.00 0.00 N ATOM 486 CA PHE A 168 3.684 4.449 6.937 1.00 0.00 C ATOM 487 C PHE A 168 2.644 5.537 6.660 1.00 0.00 C ATOM 488 O PHE A 168 2.986 6.682 6.354 1.00 0.00 O ATOM 489 CB PHE A 168 3.634 3.373 5.845 1.00 0.00 C ATOM 490 CG PHE A 168 4.144 3.822 4.502 1.00 0.00 C ATOM 491 CD1 PHE A 168 3.434 4.739 3.750 1.00 0.00 C ATOM 492 CD2 PHE A 168 5.329 3.320 3.992 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.894 5.151 2.522 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.798 3.729 2.757 1.00 0.00 C ATOM 495 CZ PHE A 168 5.077 4.646 2.020 1.00 0.00 C ATOM 0 H PHE A 168 3.257 2.835 8.211 1.00 0.00 H new ATOM 0 HA PHE A 168 4.673 4.908 6.937 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.219 2.513 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.604 3.034 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 168 2.506 5.137 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.894 2.600 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 168 3.329 5.871 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.725 3.332 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 168 5.437 4.968 1.054 1.00 0.00 H new ATOM 505 N TYR A 169 1.380 5.158 6.793 1.00 0.00 N ATOM 506 CA TYR A 169 0.249 6.057 6.581 1.00 0.00 C ATOM 507 C TYR A 169 0.358 7.318 7.441 1.00 0.00 C ATOM 508 O TYR A 169 0.164 8.432 6.951 1.00 0.00 O ATOM 509 CB TYR A 169 -1.046 5.297 6.881 1.00 0.00 C ATOM 510 CG TYR A 169 -2.258 6.165 7.121 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.792 6.937 6.104 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.878 6.193 8.364 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.915 7.714 6.314 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.999 6.969 8.583 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.514 7.728 7.556 1.00 0.00 C ATOM 516 OH TYR A 169 -5.634 8.503 7.771 1.00 0.00 O ATOM 0 H TYR A 169 1.106 4.210 7.053 1.00 0.00 H new ATOM 0 HA TYR A 169 0.249 6.388 5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.257 4.628 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.887 4.672 7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.324 6.932 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.477 5.599 9.172 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.322 8.308 5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.470 6.981 9.555 1.00 0.00 H new ATOM 0 HH TYR A 169 -6.069 8.225 8.604 1.00 0.00 H new ATOM 526 N LYS A 170 0.688 7.145 8.717 1.00 0.00 N ATOM 527 CA LYS A 170 0.804 8.280 9.626 1.00 0.00 C ATOM 528 C LYS A 170 2.006 9.151 9.274 1.00 0.00 C ATOM 529 O LYS A 170 1.970 10.369 9.456 1.00 0.00 O ATOM 530 CB LYS A 170 0.888 7.818 11.082 1.00 0.00 C ATOM 531 CG LYS A 170 -0.450 7.372 11.649 1.00 0.00 C ATOM 532 CD LYS A 170 -0.404 7.235 13.165 1.00 0.00 C ATOM 533 CE LYS A 170 0.289 5.956 13.606 1.00 0.00 C ATOM 534 NZ LYS A 170 -0.506 4.748 13.261 1.00 0.00 N ATOM 0 H LYS A 170 0.878 6.238 9.142 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.098 8.881 9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.598 6.994 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.280 8.632 11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -1.220 8.092 11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.732 6.417 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 170 0.117 8.093 13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -1.420 7.251 13.560 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.269 5.893 13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.455 5.986 14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.152 3.933 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -1.506 4.912 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -0.417 4.553 12.243 1.00 0.00 H new ATOM 548 N THR A 171 3.060 8.528 8.756 1.00 0.00 N ATOM 549 CA THR A 171 4.242 9.266 8.330 1.00 0.00 C ATOM 550 C THR A 171 3.914 10.147 7.122 1.00 0.00 C ATOM 551 O THR A 171 4.393 11.276 7.019 1.00 0.00 O ATOM 552 CB THR A 171 5.416 8.317 7.988 1.00 0.00 C ATOM 553 OG1 THR A 171 5.704 7.468 9.111 1.00 0.00 O ATOM 554 CG2 THR A 171 6.669 9.103 7.623 1.00 0.00 C ATOM 0 H THR A 171 3.119 7.519 8.622 1.00 0.00 H new ATOM 0 HA THR A 171 4.552 9.897 9.163 1.00 0.00 H new ATOM 0 HB THR A 171 5.119 7.712 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.142 6.666 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.477 8.411 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.465 9.731 6.756 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.963 9.731 8.464 1.00 0.00 H new ATOM 562 N LEU A 172 3.069 9.640 6.227 1.00 0.00 N ATOM 563 CA LEU A 172 2.644 10.411 5.063 1.00 0.00 C ATOM 564 C LEU A 172 1.783 11.604 5.475 1.00 0.00 C ATOM 565 O LEU A 172 1.808 12.646 4.825 1.00 0.00 O ATOM 566 CB LEU A 172 1.880 9.537 4.067 1.00 0.00 C ATOM 567 CG LEU A 172 2.730 8.599 3.217 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.869 7.932 2.162 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.880 9.352 2.567 1.00 0.00 C ATOM 0 H LEU A 172 2.668 8.704 6.285 1.00 0.00 H new ATOM 0 HA LEU A 172 3.546 10.784 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 172 1.155 8.939 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.315 10.188 3.400 1.00 0.00 H new ATOM 0 HG LEU A 172 3.153 7.831 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 172 2.484 7.264 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 172 1.078 7.359 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 172 1.425 8.693 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 172 4.473 8.663 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 172 3.483 10.142 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.510 9.792 3.340 1.00 0.00 H new ATOM 581 N ARG A 173 1.024 11.451 6.556 1.00 0.00 N ATOM 582 CA ARG A 173 0.224 12.555 7.085 1.00 0.00 C ATOM 583 C ARG A 173 1.115 13.599 7.755 1.00 0.00 C ATOM 584 O ARG A 173 0.661 14.689 8.109 1.00 0.00 O ATOM 585 CB ARG A 173 -0.824 12.048 8.080 1.00 0.00 C ATOM 586 CG ARG A 173 -1.936 11.245 7.433 1.00 0.00 C ATOM 587 CD ARG A 173 -2.999 10.824 8.428 1.00 0.00 C ATOM 588 NE ARG A 173 -3.728 11.969 8.976 1.00 0.00 N ATOM 589 CZ ARG A 173 -5.006 11.934 9.357 1.00 0.00 C ATOM 590 NH1 ARG A 173 -5.711 10.814 9.256 1.00 0.00 N ATOM 591 NH2 ARG A 173 -5.582 13.027 9.840 1.00 0.00 N ATOM 0 H ARG A 173 0.945 10.580 7.081 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.292 13.020 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.331 11.431 8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -1.259 12.900 8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -2.396 11.838 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -1.513 10.358 6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.702 10.147 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.533 10.269 9.242 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.226 12.852 9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -5.276 9.969 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.688 10.798 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.048 13.892 9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.559 13.002 10.132 1.00 0.00 H new ATOM 605 N ALA A 174 2.384 13.258 7.932 1.00 0.00 N ATOM 606 CA ALA A 174 3.351 14.175 8.514 1.00 0.00 C ATOM 607 C ALA A 174 4.230 14.783 7.427 1.00 0.00 C ATOM 608 O ALA A 174 5.126 15.581 7.708 1.00 0.00 O ATOM 609 CB ALA A 174 4.201 13.455 9.554 1.00 0.00 C ATOM 0 H ALA A 174 2.768 12.348 7.679 1.00 0.00 H new ATOM 0 HA ALA A 174 2.812 14.983 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.921 14.153 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.558 13.067 10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.733 12.630 9.081 1.00 0.00 H new ATOM 615 N GLU A 175 3.962 14.402 6.186 1.00 0.00 N ATOM 616 CA GLU A 175 4.706 14.913 5.045 1.00 0.00 C ATOM 617 C GLU A 175 4.244 16.317 4.680 1.00 0.00 C ATOM 618 O GLU A 175 3.100 16.695 4.937 1.00 0.00 O ATOM 619 CB GLU A 175 4.543 13.979 3.846 1.00 0.00 C ATOM 620 CG GLU A 175 5.399 12.727 3.930 1.00 0.00 C ATOM 621 CD GLU A 175 6.857 13.006 3.628 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.249 12.890 2.449 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.613 13.347 4.560 1.00 0.00 O ATOM 0 H GLU A 175 3.229 13.736 5.943 1.00 0.00 H new ATOM 0 HA GLU A 175 5.760 14.959 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 175 3.496 13.688 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 175 4.797 14.522 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.313 12.297 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.021 11.983 3.229 1.00 0.00 H new ATOM 631 N GLN A 176 5.141 17.090 4.088 1.00 0.00 N ATOM 632 CA GLN A 176 4.830 18.456 3.696 1.00 0.00 C ATOM 633 C GLN A 176 4.768 18.595 2.172 1.00 0.00 C ATOM 634 O GLN A 176 5.043 19.664 1.624 1.00 0.00 O ATOM 635 CB GLN A 176 5.866 19.416 4.291 1.00 0.00 C ATOM 636 CG GLN A 176 7.300 19.094 3.905 1.00 0.00 C ATOM 637 CD GLN A 176 8.310 19.916 4.680 1.00 0.00 C ATOM 638 OE1 GLN A 176 8.684 21.013 4.265 1.00 0.00 O ATOM 639 NE2 GLN A 176 8.763 19.389 5.805 1.00 0.00 N ATOM 0 H GLN A 176 6.092 16.794 3.868 1.00 0.00 H new ATOM 0 HA GLN A 176 3.846 18.713 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 176 5.633 20.431 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 176 5.780 19.399 5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 176 7.490 18.035 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 176 7.434 19.272 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 176 8.426 18.477 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 176 9.449 19.895 6.365 1.00 0.00 H new ATOM 648 N ALA A 177 4.407 17.510 1.495 1.00 0.00 N ATOM 649 CA ALA A 177 4.281 17.521 0.043 1.00 0.00 C ATOM 650 C ALA A 177 2.820 17.584 -0.382 1.00 0.00 C ATOM 651 O ALA A 177 1.919 17.346 0.426 1.00 0.00 O ATOM 652 CB ALA A 177 4.940 16.289 -0.556 1.00 0.00 C ATOM 0 H ALA A 177 4.196 16.611 1.929 1.00 0.00 H new ATOM 0 HA ALA A 177 4.786 18.413 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.837 16.312 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.997 16.277 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.459 15.393 -0.165 1.00 0.00 H new ATOM 658 N SER A 178 2.593 17.908 -1.647 1.00 0.00 N ATOM 659 CA SER A 178 1.250 17.929 -2.204 1.00 0.00 C ATOM 660 C SER A 178 0.658 16.521 -2.206 1.00 0.00 C ATOM 661 O SER A 178 1.375 15.554 -2.483 1.00 0.00 O ATOM 662 CB SER A 178 1.288 18.488 -3.627 1.00 0.00 C ATOM 663 OG SER A 178 2.016 19.705 -3.675 1.00 0.00 O ATOM 0 H SER A 178 3.326 18.161 -2.309 1.00 0.00 H new ATOM 0 HA SER A 178 0.620 18.570 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.746 17.759 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.272 18.654 -3.984 1.00 0.00 H new ATOM 0 HG SER A 178 2.028 20.043 -4.595 1.00 0.00 H new ATOM 669 N GLN A 179 -0.630 16.406 -1.895 1.00 0.00 N ATOM 670 CA GLN A 179 -1.263 15.099 -1.700 1.00 0.00 C ATOM 671 C GLN A 179 -1.008 14.167 -2.882 1.00 0.00 C ATOM 672 O GLN A 179 -0.498 13.059 -2.704 1.00 0.00 O ATOM 673 CB GLN A 179 -2.769 15.259 -1.474 1.00 0.00 C ATOM 674 CG GLN A 179 -3.475 13.953 -1.139 1.00 0.00 C ATOM 675 CD GLN A 179 -4.966 14.127 -0.913 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.575 13.398 -0.131 1.00 0.00 O ATOM 677 NE2 GLN A 179 -5.567 15.086 -1.600 1.00 0.00 N ATOM 0 H GLN A 179 -1.258 17.200 -1.772 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.815 14.649 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -2.933 15.970 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.219 15.687 -2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.316 13.242 -1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.025 13.522 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.028 15.670 -2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.569 15.241 -1.490 1.00 0.00 H new ATOM 686 N GLU A 180 -1.348 14.634 -4.081 1.00 0.00 N ATOM 687 CA GLU A 180 -1.178 13.851 -5.304 1.00 0.00 C ATOM 688 C GLU A 180 0.264 13.363 -5.472 1.00 0.00 C ATOM 689 O GLU A 180 0.496 12.223 -5.879 1.00 0.00 O ATOM 690 CB GLU A 180 -1.603 14.677 -6.523 1.00 0.00 C ATOM 691 CG GLU A 180 -0.925 16.037 -6.609 1.00 0.00 C ATOM 692 CD GLU A 180 -1.393 16.848 -7.796 1.00 0.00 C ATOM 693 OE1 GLU A 180 -2.369 17.616 -7.652 1.00 0.00 O ATOM 694 OE2 GLU A 180 -0.795 16.720 -8.882 1.00 0.00 O ATOM 0 H GLU A 180 -1.747 15.560 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.816 12.971 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.381 14.112 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.683 14.821 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -1.121 16.595 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 180 0.154 15.897 -6.672 1.00 0.00 H new ATOM 702 N VAL A 181 1.227 14.222 -5.141 1.00 0.00 N ATOM 703 CA VAL A 181 2.637 13.858 -5.226 1.00 0.00 C ATOM 704 C VAL A 181 2.943 12.737 -4.242 1.00 0.00 C ATOM 705 O VAL A 181 3.676 11.795 -4.555 1.00 0.00 O ATOM 706 CB VAL A 181 3.562 15.060 -4.924 1.00 0.00 C ATOM 707 CG1 VAL A 181 5.024 14.673 -5.092 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.215 16.241 -5.815 1.00 0.00 C ATOM 0 H VAL A 181 1.055 15.172 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 181 2.827 13.528 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 181 3.406 15.356 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.656 15.534 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.267 13.862 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.198 14.345 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.877 17.076 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.337 15.956 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.181 16.539 -5.638 1.00 0.00 H new ATOM 718 N LYS A 182 2.355 12.837 -3.056 1.00 0.00 N ATOM 719 CA LYS A 182 2.530 11.824 -2.030 1.00 0.00 C ATOM 720 C LYS A 182 1.933 10.487 -2.470 1.00 0.00 C ATOM 721 O LYS A 182 2.489 9.433 -2.173 1.00 0.00 O ATOM 722 CB LYS A 182 1.895 12.264 -0.709 1.00 0.00 C ATOM 723 CG LYS A 182 2.700 13.304 0.062 1.00 0.00 C ATOM 724 CD LYS A 182 4.032 12.746 0.557 1.00 0.00 C ATOM 725 CE LYS A 182 5.142 12.912 -0.473 1.00 0.00 C ATOM 726 NZ LYS A 182 6.455 12.421 0.022 1.00 0.00 N ATOM 0 H LYS A 182 1.752 13.613 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 182 3.602 11.696 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.904 12.668 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.757 11.387 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.884 14.167 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.116 13.656 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 182 4.316 13.252 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 182 3.915 11.689 0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 182 4.874 12.372 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 182 5.229 13.965 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 7.216 13.012 -0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 6.476 12.472 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 6.593 11.435 -0.279 1.00 0.00 H new ATOM 740 N ASN A 183 0.802 10.531 -3.182 1.00 0.00 N ATOM 741 CA ASN A 183 0.142 9.297 -3.620 1.00 0.00 C ATOM 742 C ASN A 183 0.979 8.607 -4.680 1.00 0.00 C ATOM 743 O ASN A 183 1.182 7.395 -4.630 1.00 0.00 O ATOM 744 CB ASN A 183 -1.268 9.528 -4.191 1.00 0.00 C ATOM 745 CG ASN A 183 -2.125 10.503 -3.398 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.979 11.188 -3.959 1.00 0.00 O ATOM 747 ND2 ASN A 183 -1.921 10.565 -2.093 1.00 0.00 N ATOM 0 H ASN A 183 0.331 11.391 -3.463 1.00 0.00 H new ATOM 0 HA ASN A 183 0.043 8.677 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.175 9.896 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.785 8.570 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -2.481 11.195 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -1.204 9.982 -1.661 1.00 0.00 H new ATOM 754 N ALA A 184 1.475 9.389 -5.633 1.00 0.00 N ATOM 755 CA ALA A 184 2.296 8.852 -6.710 1.00 0.00 C ATOM 756 C ALA A 184 3.547 8.186 -6.150 1.00 0.00 C ATOM 757 O ALA A 184 4.020 7.176 -6.675 1.00 0.00 O ATOM 758 CB ALA A 184 2.673 9.953 -7.688 1.00 0.00 C ATOM 0 H ALA A 184 1.322 10.396 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 184 1.715 8.099 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.286 9.536 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.768 10.387 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.235 10.727 -7.165 1.00 0.00 H new ATOM 764 N ALA A 185 4.068 8.758 -5.073 1.00 0.00 N ATOM 765 CA ALA A 185 5.255 8.232 -4.422 1.00 0.00 C ATOM 766 C ALA A 185 4.937 6.991 -3.588 1.00 0.00 C ATOM 767 O ALA A 185 5.651 5.990 -3.662 1.00 0.00 O ATOM 768 CB ALA A 185 5.894 9.303 -3.555 1.00 0.00 C ATOM 0 H ALA A 185 3.682 9.592 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 185 5.959 7.935 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.783 8.897 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 185 6.175 10.154 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 185 5.184 9.627 -2.794 1.00 0.00 H new ATOM 774 N THR A 186 3.865 7.049 -2.798 1.00 0.00 N ATOM 775 CA THR A 186 3.524 5.941 -1.912 1.00 0.00 C ATOM 776 C THR A 186 3.191 4.682 -2.709 1.00 0.00 C ATOM 777 O THR A 186 3.521 3.577 -2.284 1.00 0.00 O ATOM 778 CB THR A 186 2.351 6.284 -0.958 1.00 0.00 C ATOM 779 OG1 THR A 186 2.221 5.266 0.038 1.00 0.00 O ATOM 780 CG2 THR A 186 1.035 6.401 -1.700 1.00 0.00 C ATOM 0 H THR A 186 3.226 7.842 -2.754 1.00 0.00 H new ATOM 0 HA THR A 186 4.407 5.755 -1.300 1.00 0.00 H new ATOM 0 HB THR A 186 2.579 7.246 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 186 3.100 5.075 0.427 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.240 6.642 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.108 7.190 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 186 0.809 5.455 -2.192 1.00 0.00 H new ATOM 788 N GLU A 187 2.560 4.854 -3.869 1.00 0.00 N ATOM 789 CA GLU A 187 2.211 3.728 -4.728 1.00 0.00 C ATOM 790 C GLU A 187 3.443 2.900 -5.075 1.00 0.00 C ATOM 791 O GLU A 187 3.377 1.673 -5.150 1.00 0.00 O ATOM 792 CB GLU A 187 1.521 4.223 -6.002 1.00 0.00 C ATOM 793 CG GLU A 187 0.050 4.541 -5.799 1.00 0.00 C ATOM 794 CD GLU A 187 -0.799 3.290 -5.777 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.552 3.058 -6.746 1.00 0.00 O ATOM 796 OE2 GLU A 187 -0.701 2.520 -4.805 1.00 0.00 O ATOM 0 H GLU A 187 2.280 5.764 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 187 1.519 3.087 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.033 5.115 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.619 3.465 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.078 5.083 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.293 5.199 -6.598 1.00 0.00 H new ATOM 804 N THR A 188 4.570 3.569 -5.264 1.00 0.00 N ATOM 805 CA THR A 188 5.812 2.886 -5.577 1.00 0.00 C ATOM 806 C THR A 188 6.564 2.468 -4.310 1.00 0.00 C ATOM 807 O THR A 188 7.049 1.343 -4.214 1.00 0.00 O ATOM 808 CB THR A 188 6.718 3.770 -6.452 1.00 0.00 C ATOM 809 OG1 THR A 188 6.665 5.130 -6.000 1.00 0.00 O ATOM 810 CG2 THR A 188 6.293 3.706 -7.909 1.00 0.00 C ATOM 0 H THR A 188 4.648 4.584 -5.206 1.00 0.00 H new ATOM 0 HA THR A 188 5.550 1.984 -6.131 1.00 0.00 H new ATOM 0 HB THR A 188 7.738 3.396 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.426 5.150 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.948 4.339 -8.507 1.00 0.00 H new ATOM 0 HG22 THR A 188 6.360 2.677 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 188 5.265 4.056 -8.004 1.00 0.00 H new ATOM 818 N LEU A 189 6.630 3.370 -3.332 1.00 0.00 N ATOM 819 CA LEU A 189 7.415 3.139 -2.120 1.00 0.00 C ATOM 820 C LEU A 189 6.818 2.026 -1.268 1.00 0.00 C ATOM 821 O LEU A 189 7.548 1.238 -0.677 1.00 0.00 O ATOM 822 CB LEU A 189 7.515 4.422 -1.298 1.00 0.00 C ATOM 823 CG LEU A 189 8.205 5.593 -2.000 1.00 0.00 C ATOM 824 CD1 LEU A 189 8.163 6.834 -1.124 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.641 5.235 -2.346 1.00 0.00 C ATOM 0 H LEU A 189 6.149 4.269 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 189 8.413 2.830 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.509 4.731 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.054 4.203 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 189 7.671 5.804 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.658 7.659 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 189 7.126 7.102 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.675 6.633 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 189 10.116 6.080 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 189 10.187 4.998 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.651 4.370 -3.009 1.00 0.00 H new ATOM 837 N LEU A 190 5.491 1.966 -1.218 1.00 0.00 N ATOM 838 CA LEU A 190 4.789 0.952 -0.437 1.00 0.00 C ATOM 839 C LEU A 190 5.202 -0.450 -0.879 1.00 0.00 C ATOM 840 O LEU A 190 5.411 -1.338 -0.057 1.00 0.00 O ATOM 841 CB LEU A 190 3.275 1.134 -0.595 1.00 0.00 C ATOM 842 CG LEU A 190 2.398 0.274 0.314 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.655 0.603 1.777 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.932 0.482 -0.033 1.00 0.00 C ATOM 0 H LEU A 190 4.876 2.612 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 190 5.056 1.071 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.034 2.181 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 190 3.010 0.921 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 190 2.651 -0.774 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 190 2.021 -0.020 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.702 0.412 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.427 1.653 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.313 -0.134 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.671 1.531 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.760 0.198 -1.071 1.00 0.00 H new ATOM 856 N VAL A 191 5.323 -0.631 -2.187 1.00 0.00 N ATOM 857 CA VAL A 191 5.726 -1.910 -2.755 1.00 0.00 C ATOM 858 C VAL A 191 7.242 -2.100 -2.670 1.00 0.00 C ATOM 859 O VAL A 191 7.728 -3.183 -2.340 1.00 0.00 O ATOM 860 CB VAL A 191 5.271 -2.022 -4.224 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.632 -3.377 -4.808 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.776 -1.775 -4.337 1.00 0.00 C ATOM 0 H VAL A 191 5.146 0.097 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 191 5.244 -2.694 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 191 5.796 -1.258 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.299 -3.427 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.712 -3.515 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 191 5.144 -4.163 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.471 -1.858 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.239 -2.514 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.544 -0.776 -3.969 1.00 0.00 H new ATOM 872 N GLN A 192 7.980 -1.033 -2.967 1.00 0.00 N ATOM 873 CA GLN A 192 9.434 -1.076 -3.016 1.00 0.00 C ATOM 874 C GLN A 192 10.046 -1.358 -1.645 1.00 0.00 C ATOM 875 O GLN A 192 10.955 -2.181 -1.521 1.00 0.00 O ATOM 876 CB GLN A 192 9.969 0.255 -3.544 1.00 0.00 C ATOM 877 CG GLN A 192 11.470 0.253 -3.734 1.00 0.00 C ATOM 878 CD GLN A 192 12.035 1.611 -4.105 1.00 0.00 C ATOM 879 OE1 GLN A 192 13.017 1.707 -4.837 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.440 2.668 -3.582 1.00 0.00 N ATOM 0 H GLN A 192 7.585 -0.117 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 192 9.717 -1.891 -3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.488 0.482 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.697 1.051 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.944 -0.090 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.729 -0.464 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.626 2.549 -2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.794 3.603 -3.782 1.00 0.00 H new ATOM 889 N ASN A 193 9.541 -0.674 -0.627 1.00 0.00 N ATOM 890 CA ASN A 193 10.109 -0.756 0.716 1.00 0.00 C ATOM 891 C ASN A 193 9.576 -1.975 1.466 1.00 0.00 C ATOM 892 O ASN A 193 9.874 -2.171 2.646 1.00 0.00 O ATOM 893 CB ASN A 193 9.807 0.528 1.500 1.00 0.00 C ATOM 894 CG ASN A 193 10.601 1.732 1.013 1.00 0.00 C ATOM 895 OD1 ASN A 193 11.031 1.797 -0.143 1.00 0.00 O ATOM 896 ND2 ASN A 193 10.777 2.713 1.887 1.00 0.00 N ATOM 0 H ASN A 193 8.736 -0.053 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 193 11.189 -0.866 0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.742 0.749 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 193 10.024 0.361 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 193 11.282 3.556 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 193 10.408 2.625 2.834 1.00 0.00 H new ATOM 903 N ALA A 194 8.778 -2.781 0.779 1.00 0.00 N ATOM 904 CA ALA A 194 8.301 -4.040 1.325 1.00 0.00 C ATOM 905 C ALA A 194 9.299 -5.155 1.022 1.00 0.00 C ATOM 906 O ALA A 194 10.091 -5.050 0.083 1.00 0.00 O ATOM 907 CB ALA A 194 6.934 -4.380 0.750 1.00 0.00 C ATOM 0 H ALA A 194 8.446 -2.581 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 194 8.206 -3.941 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.589 -5.326 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.226 -3.591 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 194 7.007 -4.467 -0.334 1.00 0.00 H new ATOM 913 N ASN A 195 9.258 -6.218 1.821 1.00 0.00 N ATOM 914 CA ASN A 195 10.169 -7.350 1.644 1.00 0.00 C ATOM 915 C ASN A 195 9.900 -8.059 0.320 1.00 0.00 C ATOM 916 O ASN A 195 8.778 -8.006 -0.181 1.00 0.00 O ATOM 917 CB ASN A 195 10.032 -8.358 2.794 1.00 0.00 C ATOM 918 CG ASN A 195 10.269 -7.748 4.159 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.410 -7.619 4.609 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.191 -7.402 4.843 1.00 0.00 N ATOM 0 H ASN A 195 8.605 -6.321 2.598 1.00 0.00 H new ATOM 0 HA ASN A 195 11.184 -6.952 1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.034 -8.795 2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.740 -9.172 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.285 -7.012 5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.265 -7.526 4.433 1.00 0.00 H new ATOM 927 N PRO A 196 10.906 -8.736 -0.266 1.00 0.00 N ATOM 928 CA PRO A 196 10.768 -9.384 -1.577 1.00 0.00 C ATOM 929 C PRO A 196 9.552 -10.305 -1.643 1.00 0.00 C ATOM 930 O PRO A 196 8.781 -10.275 -2.609 1.00 0.00 O ATOM 931 CB PRO A 196 12.068 -10.193 -1.731 1.00 0.00 C ATOM 932 CG PRO A 196 12.707 -10.192 -0.381 1.00 0.00 C ATOM 933 CD PRO A 196 12.246 -8.938 0.299 1.00 0.00 C ATOM 0 HA PRO A 196 10.617 -8.654 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.859 -11.209 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.724 -9.742 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.414 -11.074 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.794 -10.213 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.215 -9.053 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.906 -8.097 0.087 1.00 0.00 H new ATOM 941 N ASP A 197 9.368 -11.096 -0.593 1.00 0.00 N ATOM 942 CA ASP A 197 8.258 -12.029 -0.508 1.00 0.00 C ATOM 943 C ASP A 197 6.919 -11.290 -0.492 1.00 0.00 C ATOM 944 O ASP A 197 5.993 -11.655 -1.214 1.00 0.00 O ATOM 945 CB ASP A 197 8.403 -12.896 0.745 1.00 0.00 C ATOM 946 CG ASP A 197 8.434 -12.082 2.023 1.00 0.00 C ATOM 947 OD1 ASP A 197 9.510 -11.547 2.357 1.00 0.00 O ATOM 948 OD2 ASP A 197 7.385 -11.962 2.684 1.00 0.00 O ATOM 0 H ASP A 197 9.984 -11.107 0.220 1.00 0.00 H new ATOM 0 HA ASP A 197 8.277 -12.669 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 197 7.574 -13.603 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 197 9.319 -13.483 0.671 1.00 0.00 H new ATOM 954 N CYS A 198 6.837 -10.235 0.308 1.00 0.00 N ATOM 955 CA CYS A 198 5.618 -9.452 0.428 1.00 0.00 C ATOM 956 C CYS A 198 5.348 -8.702 -0.869 1.00 0.00 C ATOM 957 O CYS A 198 4.212 -8.629 -1.333 1.00 0.00 O ATOM 958 CB CYS A 198 5.736 -8.475 1.599 1.00 0.00 C ATOM 959 SG CYS A 198 6.162 -9.263 3.172 1.00 0.00 S ATOM 0 H CYS A 198 7.608 -9.901 0.887 1.00 0.00 H new ATOM 0 HA CYS A 198 4.781 -10.124 0.619 1.00 0.00 H new ATOM 0 HB2 CYS A 198 6.493 -7.728 1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.791 -7.945 1.714 1.00 0.00 H new ATOM 0 HG CYS A 198 6.857 -10.338 2.945 1.00 0.00 H new ATOM 965 N LYS A 199 6.413 -8.169 -1.460 1.00 0.00 N ATOM 966 CA LYS A 199 6.333 -7.472 -2.740 1.00 0.00 C ATOM 967 C LYS A 199 5.733 -8.381 -3.808 1.00 0.00 C ATOM 968 O LYS A 199 4.926 -7.948 -4.633 1.00 0.00 O ATOM 969 CB LYS A 199 7.733 -7.019 -3.157 1.00 0.00 C ATOM 970 CG LYS A 199 7.766 -6.170 -4.417 1.00 0.00 C ATOM 971 CD LYS A 199 9.194 -5.847 -4.833 1.00 0.00 C ATOM 972 CE LYS A 199 9.966 -5.156 -3.716 1.00 0.00 C ATOM 973 NZ LYS A 199 11.389 -4.929 -4.081 1.00 0.00 N ATOM 0 H LYS A 199 7.353 -8.208 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 199 5.687 -6.601 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 199 8.177 -6.452 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.357 -7.900 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.260 -6.697 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.217 -5.244 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.707 -6.766 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.180 -5.207 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.494 -4.201 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.916 -5.762 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.878 -4.457 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.847 -5.842 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.438 -4.329 -4.929 1.00 0.00 H new ATOM 987 N THR A 200 6.127 -9.647 -3.764 1.00 0.00 N ATOM 988 CA THR A 200 5.612 -10.650 -4.681 1.00 0.00 C ATOM 989 C THR A 200 4.110 -10.851 -4.470 1.00 0.00 C ATOM 990 O THR A 200 3.340 -10.932 -5.428 1.00 0.00 O ATOM 991 CB THR A 200 6.356 -11.988 -4.488 1.00 0.00 C ATOM 992 OG1 THR A 200 7.769 -11.786 -4.649 1.00 0.00 O ATOM 993 CG2 THR A 200 5.876 -13.036 -5.481 1.00 0.00 C ATOM 0 H THR A 200 6.809 -10.004 -3.095 1.00 0.00 H new ATOM 0 HA THR A 200 5.777 -10.299 -5.699 1.00 0.00 H new ATOM 0 HB THR A 200 6.146 -12.349 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.120 -11.296 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.420 -13.967 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.809 -13.209 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.055 -12.684 -6.497 1.00 0.00 H new ATOM 1001 N ILE A 201 3.697 -10.891 -3.206 1.00 0.00 N ATOM 1002 CA ILE A 201 2.290 -11.064 -2.860 1.00 0.00 C ATOM 1003 C ILE A 201 1.473 -9.843 -3.285 1.00 0.00 C ATOM 1004 O ILE A 201 0.357 -9.975 -3.787 1.00 0.00 O ATOM 1005 CB ILE A 201 2.109 -11.305 -1.346 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.937 -12.514 -0.900 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.639 -11.512 -1.009 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.920 -12.744 0.595 1.00 0.00 C ATOM 0 H ILE A 201 4.319 -10.806 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 201 1.929 -11.941 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 201 2.462 -10.424 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.560 -13.406 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.968 -12.377 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.532 -11.680 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 201 0.072 -10.627 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.260 -12.378 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.527 -13.616 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 201 3.325 -11.868 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.895 -12.913 0.925 1.00 0.00 H new ATOM 1020 N LEU A 202 2.049 -8.659 -3.101 1.00 0.00 N ATOM 1021 CA LEU A 202 1.405 -7.411 -3.506 1.00 0.00 C ATOM 1022 C LEU A 202 1.117 -7.420 -5.005 1.00 0.00 C ATOM 1023 O LEU A 202 0.055 -6.986 -5.453 1.00 0.00 O ATOM 1024 CB LEU A 202 2.299 -6.219 -3.154 1.00 0.00 C ATOM 1025 CG LEU A 202 2.674 -6.096 -1.673 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.678 -4.972 -1.466 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.433 -5.863 -0.825 1.00 0.00 C ATOM 0 H LEU A 202 2.966 -8.536 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 202 0.461 -7.319 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.216 -6.288 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.793 -5.304 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 202 3.136 -7.032 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.931 -4.901 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.580 -5.179 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.243 -4.030 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.719 -5.778 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.943 -4.943 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.746 -6.701 -0.947 1.00 0.00 H new ATOM 1039 N LYS A 203 2.069 -7.929 -5.777 1.00 0.00 N ATOM 1040 CA LYS A 203 1.903 -8.039 -7.222 1.00 0.00 C ATOM 1041 C LYS A 203 0.934 -9.166 -7.573 1.00 0.00 C ATOM 1042 O LYS A 203 0.296 -9.142 -8.625 1.00 0.00 O ATOM 1043 CB LYS A 203 3.254 -8.264 -7.908 1.00 0.00 C ATOM 1044 CG LYS A 203 4.171 -7.052 -7.852 1.00 0.00 C ATOM 1045 CD LYS A 203 3.526 -5.843 -8.511 1.00 0.00 C ATOM 1046 CE LYS A 203 4.424 -4.618 -8.448 1.00 0.00 C ATOM 1047 NZ LYS A 203 3.757 -3.414 -9.015 1.00 0.00 N ATOM 0 H LYS A 203 2.964 -8.272 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 203 1.484 -7.100 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.755 -9.111 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.083 -8.533 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.408 -6.820 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.113 -7.282 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 203 3.300 -6.074 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 203 2.578 -5.624 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.703 -4.425 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.346 -4.815 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 4.401 -2.599 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 3.513 -3.589 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 2.891 -3.211 -8.477 1.00 0.00 H new ATOM 1061 N ALA A 204 0.838 -10.156 -6.694 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.083 -11.269 -6.891 1.00 0.00 C ATOM 1063 C ALA A 204 -1.533 -10.805 -6.772 1.00 0.00 C ATOM 1064 O ALA A 204 -2.418 -11.339 -7.442 1.00 0.00 O ATOM 1065 CB ALA A 204 0.205 -12.386 -5.897 1.00 0.00 C ATOM 0 H ALA A 204 1.388 -10.211 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 204 0.067 -11.657 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.493 -13.207 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.225 -12.743 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.089 -12.008 -4.881 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.768 -9.821 -5.913 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.091 -9.213 -5.792 1.00 0.00 C ATOM 1073 C LEU A 205 -3.486 -8.531 -7.096 1.00 0.00 C ATOM 1074 O LEU A 205 -4.529 -8.828 -7.679 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.128 -8.169 -4.674 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.649 -8.625 -3.307 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -4.940 -9.407 -3.442 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.609 -9.424 -2.551 1.00 0.00 C ATOM 0 H LEU A 205 -1.063 -9.426 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.790 -10.016 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.118 -7.783 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.745 -7.336 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.860 -7.727 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.283 -9.716 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.698 -8.779 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.768 -10.289 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.015 -9.730 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.339 -10.309 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.722 -8.810 -2.393 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.633 -7.621 -7.544 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.908 -6.855 -8.740 1.00 0.00 C ATOM 1092 C GLY A 206 -3.004 -5.372 -8.439 1.00 0.00 C ATOM 1093 O GLY A 206 -3.242 -4.988 -7.295 1.00 0.00 O ATOM 0 H GLY A 206 -1.745 -7.399 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -2.121 -7.028 -9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.841 -7.198 -9.187 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.819 -4.512 -9.447 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.858 -3.058 -9.259 1.00 0.00 C ATOM 1099 C PRO A 207 -4.274 -2.533 -9.016 1.00 0.00 C ATOM 1100 O PRO A 207 -4.462 -1.423 -8.519 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.303 -2.517 -10.576 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.599 -3.577 -11.583 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.545 -4.887 -10.846 1.00 0.00 C ATOM 0 HA PRO A 207 -2.292 -2.747 -8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -2.776 -1.573 -10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.232 -2.328 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.580 -3.424 -12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.871 -3.557 -12.394 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.287 -5.590 -11.225 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.571 -5.365 -10.949 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.268 -3.343 -9.364 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.661 -2.944 -9.216 1.00 0.00 C ATOM 1113 C ALA A 208 -7.208 -3.342 -7.850 1.00 0.00 C ATOM 1114 O ALA A 208 -8.345 -3.013 -7.505 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.507 -3.551 -10.322 1.00 0.00 C ATOM 0 H ALA A 208 -5.134 -4.278 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.708 -1.858 -9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.545 -3.243 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.141 -3.208 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.443 -4.638 -10.274 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.393 -4.044 -7.074 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.793 -4.480 -5.743 1.00 0.00 C ATOM 1123 C ALA A 209 -6.682 -3.327 -4.751 1.00 0.00 C ATOM 1124 O ALA A 209 -6.034 -2.316 -5.032 1.00 0.00 O ATOM 1125 CB ALA A 209 -5.942 -5.659 -5.299 1.00 0.00 C ATOM 0 H ALA A 209 -5.450 -4.324 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.834 -4.801 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.251 -5.976 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.071 -6.485 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -4.893 -5.363 -5.277 1.00 0.00 H new ATOM 1131 N THR A 210 -7.302 -3.482 -3.592 1.00 0.00 N ATOM 1132 CA THR A 210 -7.353 -2.409 -2.615 1.00 0.00 C ATOM 1133 C THR A 210 -6.423 -2.703 -1.439 1.00 0.00 C ATOM 1134 O THR A 210 -5.801 -3.767 -1.383 1.00 0.00 O ATOM 1135 CB THR A 210 -8.798 -2.178 -2.107 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.858 -1.006 -1.283 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.303 -3.378 -1.319 1.00 0.00 C ATOM 0 H THR A 210 -7.776 -4.339 -3.306 1.00 0.00 H new ATOM 0 HA THR A 210 -7.016 -1.498 -3.110 1.00 0.00 H new ATOM 0 HB THR A 210 -9.436 -2.041 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.777 -0.872 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.320 -3.186 -0.976 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.296 -4.261 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.655 -3.547 -0.459 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.331 -1.760 -0.509 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.462 -1.896 0.653 1.00 0.00 C ATOM 1147 C LEU A 211 -5.784 -3.161 1.438 1.00 0.00 C ATOM 1148 O LEU A 211 -4.888 -3.947 1.755 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.625 -0.693 1.576 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.801 -0.748 2.857 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.339 -0.446 2.571 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -5.373 0.216 3.879 1.00 0.00 C ATOM 0 H LEU A 211 -6.853 -0.884 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.436 -1.954 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.354 0.208 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.678 -0.599 1.843 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.852 -1.756 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.770 -0.491 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.946 -1.181 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -3.251 0.551 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.780 0.172 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -5.347 1.229 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.404 -0.060 4.102 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.071 -3.356 1.734 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.520 -4.466 2.572 1.00 0.00 C ATOM 1166 C GLU A 212 -7.080 -5.819 2.013 1.00 0.00 C ATOM 1167 O GLU A 212 -6.896 -6.775 2.770 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.039 -4.443 2.728 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.568 -3.228 3.471 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.034 -3.362 3.834 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.337 -3.605 5.023 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.892 -3.240 2.936 1.00 0.00 O ATOM 0 H GLU A 212 -7.824 -2.754 1.402 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.054 -4.337 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.496 -4.478 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.353 -5.343 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -8.984 -3.079 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.430 -2.340 2.854 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.884 -5.895 0.700 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.461 -7.132 0.073 1.00 0.00 C ATOM 1182 C GLU A 213 -5.053 -7.480 0.518 1.00 0.00 C ATOM 1183 O GLU A 213 -4.760 -8.626 0.837 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.527 -7.017 -1.448 1.00 0.00 C ATOM 1185 CG GLU A 213 -7.937 -6.819 -1.969 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.900 -7.861 -1.441 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.766 -7.508 -0.619 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -8.784 -9.041 -1.835 1.00 0.00 O ATOM 0 H GLU A 213 -7.012 -5.115 0.056 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.137 -7.929 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -5.906 -6.181 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.105 -7.918 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.289 -5.827 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -7.927 -6.856 -3.058 1.00 0.00 H new ATOM 1196 N MET A 214 -4.200 -6.464 0.561 1.00 0.00 N ATOM 1197 CA MET A 214 -2.817 -6.633 0.996 1.00 0.00 C ATOM 1198 C MET A 214 -2.773 -6.952 2.481 1.00 0.00 C ATOM 1199 O MET A 214 -2.018 -7.819 2.928 1.00 0.00 O ATOM 1200 CB MET A 214 -2.012 -5.359 0.730 1.00 0.00 C ATOM 1201 CG MET A 214 -2.289 -4.745 -0.628 1.00 0.00 C ATOM 1202 SD MET A 214 -1.966 -5.885 -1.975 1.00 0.00 S ATOM 1203 CE MET A 214 -3.136 -5.281 -3.179 1.00 0.00 C ATOM 0 H MET A 214 -4.443 -5.509 0.299 1.00 0.00 H new ATOM 0 HA MET A 214 -2.379 -7.457 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.238 -4.627 1.505 1.00 0.00 H new ATOM 0 HB3 MET A 214 -0.949 -5.587 0.808 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.329 -4.421 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.672 -3.855 -0.754 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.737 -5.433 -4.182 1.00 0.00 H new ATOM 0 HE2 MET A 214 -4.076 -5.823 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.311 -4.218 -3.015 1.00 0.00 H new ATOM 1213 N MET A 215 -3.602 -6.233 3.236 1.00 0.00 N ATOM 1214 CA MET A 215 -3.695 -6.407 4.683 1.00 0.00 C ATOM 1215 C MET A 215 -4.039 -7.853 5.019 1.00 0.00 C ATOM 1216 O MET A 215 -3.435 -8.465 5.900 1.00 0.00 O ATOM 1217 CB MET A 215 -4.770 -5.480 5.269 1.00 0.00 C ATOM 1218 CG MET A 215 -4.664 -4.034 4.810 1.00 0.00 C ATOM 1219 SD MET A 215 -3.163 -3.212 5.372 1.00 0.00 S ATOM 1220 CE MET A 215 -3.540 -2.958 7.100 1.00 0.00 C ATOM 0 H MET A 215 -4.225 -5.517 2.863 1.00 0.00 H new ATOM 0 HA MET A 215 -2.729 -6.154 5.119 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.753 -5.865 4.997 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.706 -5.510 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 215 -4.700 -4.003 3.721 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.530 -3.481 5.174 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.900 -2.172 7.500 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.584 -2.664 7.205 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.366 -3.883 7.650 1.00 0.00 H new ATOM 1230 N THR A 216 -5.008 -8.398 4.297 1.00 0.00 N ATOM 1231 CA THR A 216 -5.451 -9.760 4.522 1.00 0.00 C ATOM 1232 C THR A 216 -4.476 -10.759 3.899 1.00 0.00 C ATOM 1233 O THR A 216 -4.290 -11.860 4.417 1.00 0.00 O ATOM 1234 CB THR A 216 -6.862 -9.975 3.951 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.719 -8.905 4.376 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.442 -11.305 4.410 1.00 0.00 C ATOM 0 H THR A 216 -5.502 -7.913 3.548 1.00 0.00 H new ATOM 0 HA THR A 216 -5.480 -9.928 5.599 1.00 0.00 H new ATOM 0 HB THR A 216 -6.794 -9.988 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.508 -8.095 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.440 -11.430 3.991 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.801 -12.118 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.501 -11.320 5.498 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.846 -10.363 2.798 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.856 -11.202 2.134 1.00 0.00 C ATOM 1246 C ALA A 217 -1.702 -11.513 3.082 1.00 0.00 C ATOM 1247 O ALA A 217 -1.231 -12.647 3.165 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.342 -10.518 0.872 1.00 0.00 C ATOM 0 H ALA A 217 -4.005 -9.463 2.346 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.330 -12.141 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.604 -11.156 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.173 -10.342 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.881 -9.566 1.136 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.270 -10.496 3.814 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.182 -10.644 4.765 1.00 0.00 C ATOM 1256 C CYS A 218 -0.644 -11.379 6.024 1.00 0.00 C ATOM 1257 O CYS A 218 0.101 -12.179 6.590 1.00 0.00 O ATOM 1258 CB CYS A 218 0.379 -9.266 5.130 1.00 0.00 C ATOM 1259 SG CYS A 218 1.748 -9.294 6.313 1.00 0.00 S ATOM 0 H CYS A 218 -1.660 -9.555 3.765 1.00 0.00 H new ATOM 0 HA CYS A 218 0.602 -11.240 4.299 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.715 -8.773 4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 218 -0.427 -8.659 5.542 1.00 0.00 H new ATOM 0 HG CYS A 218 1.737 -10.420 6.963 1.00 0.00 H new ATOM 1472 N THR B 2 -2.676 3.773 -2.633 1.00 0.00 N ATOM 1473 CA THR B 2 -2.238 5.155 -2.636 1.00 0.00 C ATOM 1474 C THR B 2 -2.637 5.801 -1.317 1.00 0.00 C ATOM 1475 O THR B 2 -3.499 5.271 -0.608 1.00 0.00 O ATOM 1476 CB THR B 2 -2.796 5.964 -3.844 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.025 7.329 -3.482 1.00 0.00 O ATOM 1478 CG2 THR B 2 -4.087 5.374 -4.379 1.00 0.00 C ATOM 0 HA THR B 2 -1.154 5.166 -2.745 1.00 0.00 H new ATOM 0 HB THR B 2 -2.040 5.911 -4.627 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.546 7.771 -4.184 1.00 0.00 H new ATOM 0 HG21 THR B 2 -4.439 5.971 -5.220 1.00 0.00 H new ATOM 0 HG22 THR B 2 -3.910 4.350 -4.709 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.841 5.376 -3.592 1.00 0.00 H new ATOM 1486 N PHE B 3 -2.005 6.910 -0.970 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.290 7.590 0.284 1.00 0.00 C ATOM 1488 C PHE B 3 -3.771 7.954 0.371 1.00 0.00 C ATOM 1489 O PHE B 3 -4.352 7.924 1.458 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.415 8.835 0.418 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.554 9.542 1.734 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.452 8.840 2.922 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.782 10.905 1.783 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.576 9.483 4.133 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.907 11.556 2.993 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.802 10.843 4.170 1.00 0.00 C ATOM 0 H PHE B 3 -1.289 7.360 -1.540 1.00 0.00 H new ATOM 0 HA PHE B 3 -2.059 6.916 1.109 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.372 8.550 0.279 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.665 9.530 -0.384 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.273 7.775 2.899 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.863 11.466 0.864 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.496 8.923 5.053 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.087 12.621 3.019 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.897 11.350 5.119 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.279 6.204 -0.772 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.940 4.969 -0.355 1.00 0.00 C ATOM 1528 C ASP B 5 -6.728 4.727 1.132 1.00 0.00 C ATOM 1529 O ASP B 5 -7.628 4.274 1.837 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.391 3.788 -1.167 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.055 2.464 -0.834 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -6.336 1.536 -0.410 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -8.280 2.340 -1.024 1.00 0.00 O ATOM 0 HA ASP B 5 -8.010 5.063 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.523 3.995 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.319 3.703 -0.990 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.528 5.054 1.597 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.185 4.941 3.008 1.00 0.00 C ATOM 1541 C LEU B 6 -6.078 5.840 3.853 1.00 0.00 C ATOM 1542 O LEU B 6 -6.644 5.414 4.863 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.720 5.325 3.232 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.827 4.208 3.758 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.486 3.550 4.952 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.537 3.192 2.666 1.00 0.00 C ATOM 0 H LEU B 6 -4.770 5.403 1.010 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.337 3.905 3.310 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.307 5.684 2.289 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.683 6.158 3.934 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.874 4.633 4.074 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.846 2.751 5.327 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.639 4.291 5.737 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.448 3.134 4.653 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.898 2.403 3.063 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.473 2.758 2.315 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.032 3.685 1.835 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.192 7.090 3.425 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.015 8.068 4.116 1.00 0.00 C ATOM 1560 C LEU B 7 -8.469 7.633 4.159 1.00 0.00 C ATOM 1561 O LEU B 7 -9.065 7.556 5.230 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.928 9.429 3.422 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.640 10.221 3.675 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.631 11.497 2.848 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.501 10.559 5.150 1.00 0.00 C ATOM 0 H LEU B 7 -5.720 7.451 2.596 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.637 8.147 5.135 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.034 9.276 2.348 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.775 10.035 3.743 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.795 9.601 3.377 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.710 12.048 3.039 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.690 11.245 1.789 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.486 12.114 3.122 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.581 11.121 5.309 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.353 11.160 5.467 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.469 9.638 5.733 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.805 4.901 3.821 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.973 3.688 4.611 1.00 0.00 C ATOM 1599 C TYR B 9 -10.133 4.018 6.095 1.00 0.00 C ATOM 1600 O TYR B 9 -11.112 3.623 6.724 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.773 2.754 4.402 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.767 1.542 5.305 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.664 0.500 5.112 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.862 1.442 6.355 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.658 -0.607 5.939 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.849 0.338 7.186 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.748 -0.684 6.975 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.739 -1.786 7.802 1.00 0.00 O ATOM 0 HA TYR B 9 -10.880 3.185 4.276 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.763 2.420 3.364 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.855 3.319 4.564 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -10.377 0.556 4.303 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -7.156 2.242 6.525 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -10.362 -1.409 5.776 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -7.138 0.277 7.996 1.00 0.00 H new ATOM 0 HH TYR B 9 -8.037 -1.682 8.478 1.00 0.00 H new ATOM 1618 N TYR B 10 -9.166 4.741 6.651 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.190 5.091 8.071 1.00 0.00 C ATOM 1620 C TYR B 10 -10.255 6.138 8.386 1.00 0.00 C ATOM 1621 O TYR B 10 -10.867 6.110 9.457 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.818 5.578 8.530 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.833 4.456 8.759 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.852 3.731 9.941 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.897 4.114 7.794 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.963 2.699 10.160 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -5.004 3.081 8.003 1.00 0.00 C ATOM 1628 CZ TYR B 10 -5.043 2.375 9.188 1.00 0.00 C ATOM 1629 OH TYR B 10 -4.161 1.340 9.404 1.00 0.00 O ATOM 0 H TYR B 10 -8.356 5.096 6.143 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.447 4.185 8.620 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.414 6.261 7.783 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.932 6.147 9.453 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.576 3.979 10.704 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.866 4.664 6.865 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.988 2.148 11.089 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.279 2.827 7.243 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.579 1.238 8.622 1.00 0.00 H new