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 215 MET CE :methyl -154:sc= -0.678 (180deg=-2.65!) USER MOD Set 1.2: B 9 TYR OH : rot 30:sc= -0.095 USER MOD Set 2.1: A 155 GLN : amide:sc= 1.1 K(o=1.4,f=-2.8!) USER MOD Set 2.2: A 198 CYS SG : rot 148:sc= 0.309 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= -1.44! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.101) USER MOD Single : A 171 THR OG1 : rot 71:sc= 1.22 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= -1.08! C(o=-1.1!,f=-2.8!) USER MOD Single : A 182 LYS NZ :NH3+ 172:sc= 1.02 (180deg=0.889) USER MOD Single : A 183 ASN : amide:sc= -2.33! C(o=-2.3!,f=-5!) USER MOD Single : A 186 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 192 GLN :FLIP amide:sc= -0.0376 F(o=-0.87,f=-0.038) USER MOD Single : A 193 ASN : amide:sc= -0.0366 K(o=-0.037,f=-0.63) USER MOD Single : A 195 ASN : amide:sc= -0.912 X(o=-0.91,f=-1.2) USER MOD Single : A 199 LYS NZ :NH3+ 148:sc= 0.972 (180deg=0.309) USER MOD Single : A 200 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 203 LYS NZ :NH3+ 166:sc= -0.004 (180deg=-0.129) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 214 MET CE :methyl 162:sc= -1.42 (180deg=-3.01!) USER MOD Single : A 216 THR OG1 : rot 79:sc= 0.477 USER MOD Single : A 218 CYS SG : rot -18:sc= -0.381 USER MOD Single : B 2 THR OG1 : rot -170:sc= -1.15 USER MOD Single : B 10 TYR OH : rot 95:sc= -0.625 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.708 9.455 4.263 1.00 0.00 N ATOM 171 CA ILE A 150 8.979 8.201 4.107 1.00 0.00 C ATOM 172 C ILE A 150 9.867 7.138 3.450 1.00 0.00 C ATOM 173 O ILE A 150 9.569 5.945 3.487 1.00 0.00 O ATOM 174 CB ILE A 150 7.695 8.415 3.264 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.775 7.195 3.343 1.00 0.00 C ATOM 176 CG2 ILE A 150 8.037 8.725 1.811 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.219 6.944 4.726 1.00 0.00 C ATOM 0 HA ILE A 150 8.691 7.852 5.099 1.00 0.00 H new ATOM 0 HB ILE A 150 7.167 9.272 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.947 7.329 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.326 6.313 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.118 8.870 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.639 9.632 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.599 7.894 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.576 6.064 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 150 7.040 6.778 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.639 7.809 5.048 1.00 0.00 H new ATOM 189 N LEU A 151 10.977 7.586 2.868 1.00 0.00 N ATOM 190 CA LEU A 151 11.926 6.693 2.213 1.00 0.00 C ATOM 191 C LEU A 151 12.614 5.782 3.228 1.00 0.00 C ATOM 192 O LEU A 151 13.146 4.728 2.870 1.00 0.00 O ATOM 193 CB LEU A 151 12.977 7.505 1.458 1.00 0.00 C ATOM 194 CG LEU A 151 12.431 8.425 0.363 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.559 9.222 -0.276 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.685 7.615 -0.690 1.00 0.00 C ATOM 0 H LEU A 151 11.241 8.571 2.838 1.00 0.00 H new ATOM 0 HA LEU A 151 11.372 6.071 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.529 8.111 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.691 6.815 1.007 1.00 0.00 H new ATOM 0 HG LEU A 151 11.731 9.126 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.152 9.870 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.051 9.830 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.283 8.538 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.303 8.284 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.364 6.892 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.853 7.089 -0.222 1.00 0.00 H new ATOM 208 N ASP A 152 12.607 6.199 4.490 1.00 0.00 N ATOM 209 CA ASP A 152 13.225 5.420 5.560 1.00 0.00 C ATOM 210 C ASP A 152 12.210 4.491 6.208 1.00 0.00 C ATOM 211 O ASP A 152 12.564 3.628 7.015 1.00 0.00 O ATOM 212 CB ASP A 152 13.836 6.334 6.623 1.00 0.00 C ATOM 213 CG ASP A 152 15.085 7.028 6.130 1.00 0.00 C ATOM 214 OD1 ASP A 152 16.180 6.429 6.229 1.00 0.00 O ATOM 215 OD2 ASP A 152 14.982 8.164 5.628 1.00 0.00 O ATOM 0 H ASP A 152 12.180 7.073 4.798 1.00 0.00 H new ATOM 0 HA ASP A 152 14.019 4.822 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.101 7.081 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 152 14.074 5.748 7.510 1.00 0.00 H new ATOM 221 N ILE A 153 10.949 4.662 5.846 1.00 0.00 N ATOM 222 CA ILE A 153 9.886 3.847 6.405 1.00 0.00 C ATOM 223 C ILE A 153 9.778 2.532 5.643 1.00 0.00 C ATOM 224 O ILE A 153 9.001 2.399 4.698 1.00 0.00 O ATOM 225 CB ILE A 153 8.527 4.586 6.400 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.642 5.919 7.155 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.438 3.715 7.017 1.00 0.00 C ATOM 228 CD1 ILE A 153 9.024 5.769 8.613 1.00 0.00 C ATOM 0 H ILE A 153 10.638 5.358 5.168 1.00 0.00 H new ATOM 0 HA ILE A 153 10.140 3.641 7.445 1.00 0.00 H new ATOM 0 HB ILE A 153 8.252 4.794 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.384 6.544 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.689 6.444 7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.490 4.253 7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.340 2.794 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.704 3.474 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 153 9.085 6.754 9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 153 8.271 5.172 9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.992 5.273 8.686 1.00 0.00 H new ATOM 240 N ARG A 154 10.601 1.581 6.045 1.00 0.00 N ATOM 241 CA ARG A 154 10.594 0.251 5.465 1.00 0.00 C ATOM 242 C ARG A 154 9.982 -0.742 6.440 1.00 0.00 C ATOM 243 O ARG A 154 9.962 -0.504 7.650 1.00 0.00 O ATOM 244 CB ARG A 154 12.020 -0.173 5.101 1.00 0.00 C ATOM 245 CG ARG A 154 12.557 0.512 3.853 1.00 0.00 C ATOM 246 CD ARG A 154 14.028 0.199 3.626 1.00 0.00 C ATOM 247 NE ARG A 154 14.890 0.916 4.567 1.00 0.00 N ATOM 248 CZ ARG A 154 15.854 0.343 5.284 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.052 -0.968 5.216 1.00 0.00 N ATOM 250 NH2 ARG A 154 16.617 1.087 6.075 1.00 0.00 N ATOM 0 H ARG A 154 11.293 1.709 6.783 1.00 0.00 H new ATOM 0 HA ARG A 154 9.991 0.266 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.681 0.047 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.043 -1.252 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.979 0.192 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.425 1.590 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.191 -0.874 3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.303 0.466 2.606 1.00 0.00 H new ATOM 0 HE ARG A 154 14.743 1.919 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.464 -1.542 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.792 -1.401 5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 154 16.464 2.094 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 154 17.357 0.652 6.626 1.00 0.00 H new ATOM 264 N GLN A 155 9.472 -1.840 5.902 1.00 0.00 N ATOM 265 CA GLN A 155 8.852 -2.881 6.708 1.00 0.00 C ATOM 266 C GLN A 155 9.914 -3.717 7.407 1.00 0.00 C ATOM 267 O GLN A 155 10.921 -4.087 6.804 1.00 0.00 O ATOM 268 CB GLN A 155 7.980 -3.784 5.827 1.00 0.00 C ATOM 269 CG GLN A 155 7.337 -4.937 6.587 1.00 0.00 C ATOM 270 CD GLN A 155 6.526 -5.855 5.691 1.00 0.00 C ATOM 271 OE1 GLN A 155 6.821 -6.009 4.506 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.517 -6.500 6.258 1.00 0.00 N ATOM 0 H GLN A 155 9.476 -2.034 4.901 1.00 0.00 H new ATOM 0 HA GLN A 155 8.226 -2.404 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.197 -3.182 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.590 -4.187 5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 155 8.115 -5.517 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.691 -4.536 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.303 -6.346 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.955 -7.150 5.709 1.00 0.00 H new ATOM 281 N GLY A 156 9.690 -4.005 8.680 1.00 0.00 N ATOM 282 CA GLY A 156 10.588 -4.876 9.402 1.00 0.00 C ATOM 283 C GLY A 156 10.405 -6.320 8.982 1.00 0.00 C ATOM 284 O GLY A 156 9.295 -6.731 8.651 1.00 0.00 O ATOM 0 H GLY A 156 8.903 -3.651 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.619 -4.570 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.409 -4.780 10.473 1.00 0.00 H new ATOM 288 N PRO A 157 11.474 -7.127 9.009 1.00 0.00 N ATOM 289 CA PRO A 157 11.436 -8.525 8.556 1.00 0.00 C ATOM 290 C PRO A 157 10.472 -9.376 9.381 1.00 0.00 C ATOM 291 O PRO A 157 10.019 -10.432 8.943 1.00 0.00 O ATOM 292 CB PRO A 157 12.878 -9.010 8.747 1.00 0.00 C ATOM 293 CG PRO A 157 13.482 -8.062 9.727 1.00 0.00 C ATOM 294 CD PRO A 157 12.800 -6.742 9.504 1.00 0.00 C ATOM 0 HA PRO A 157 11.082 -8.607 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.903 -10.033 9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.424 -9.003 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 157 13.333 -8.410 10.749 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.558 -7.976 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.733 -6.163 10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.337 -6.129 8.780 1.00 0.00 H new ATOM 302 N LYS A 158 10.168 -8.899 10.579 1.00 0.00 N ATOM 303 CA LYS A 158 9.242 -9.579 11.472 1.00 0.00 C ATOM 304 C LYS A 158 8.119 -8.632 11.877 1.00 0.00 C ATOM 305 O LYS A 158 7.443 -8.837 12.885 1.00 0.00 O ATOM 306 CB LYS A 158 9.984 -10.093 12.710 1.00 0.00 C ATOM 307 CG LYS A 158 10.996 -11.183 12.397 1.00 0.00 C ATOM 308 CD LYS A 158 10.315 -12.456 11.920 1.00 0.00 C ATOM 309 CE LYS A 158 11.321 -13.511 11.495 1.00 0.00 C ATOM 310 NZ LYS A 158 10.661 -14.806 11.190 1.00 0.00 N ATOM 0 H LYS A 158 10.554 -8.034 10.958 1.00 0.00 H new ATOM 0 HA LYS A 158 8.807 -10.432 10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 158 10.496 -9.259 13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.258 -10.476 13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 158 11.687 -10.830 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 158 11.588 -11.397 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 158 9.688 -12.853 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.657 -12.224 11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 158 11.864 -13.163 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.055 -13.654 12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.378 -15.502 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 10.163 -15.150 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.978 -14.674 10.417 1.00 0.00 H new ATOM 324 N GLU A 159 7.934 -7.588 11.084 1.00 0.00 N ATOM 325 CA GLU A 159 6.909 -6.596 11.353 1.00 0.00 C ATOM 326 C GLU A 159 5.667 -6.843 10.496 1.00 0.00 C ATOM 327 O GLU A 159 5.758 -6.956 9.270 1.00 0.00 O ATOM 328 CB GLU A 159 7.466 -5.203 11.081 1.00 0.00 C ATOM 329 CG GLU A 159 6.460 -4.085 11.278 1.00 0.00 C ATOM 330 CD GLU A 159 7.059 -2.730 10.996 1.00 0.00 C ATOM 331 OE1 GLU A 159 7.235 -2.392 9.810 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.367 -2.003 11.960 1.00 0.00 O ATOM 0 H GLU A 159 8.485 -7.407 10.245 1.00 0.00 H new ATOM 0 HA GLU A 159 6.615 -6.674 12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.319 -5.030 11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.839 -5.166 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.605 -4.247 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.086 -4.110 12.301 1.00 0.00 H new ATOM 340 N PRO A 160 4.493 -6.937 11.140 1.00 0.00 N ATOM 341 CA PRO A 160 3.214 -7.124 10.449 1.00 0.00 C ATOM 342 C PRO A 160 2.917 -5.977 9.488 1.00 0.00 C ATOM 343 O PRO A 160 3.111 -4.805 9.815 1.00 0.00 O ATOM 344 CB PRO A 160 2.182 -7.144 11.583 1.00 0.00 C ATOM 345 CG PRO A 160 2.870 -6.532 12.754 1.00 0.00 C ATOM 346 CD PRO A 160 4.322 -6.868 12.599 1.00 0.00 C ATOM 0 HA PRO A 160 3.209 -8.029 9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.290 -6.580 11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.860 -8.162 11.804 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.719 -5.453 12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.475 -6.928 13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.962 -6.106 13.045 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.571 -7.814 13.079 1.00 0.00 H new ATOM 354 N PHE A 161 2.431 -6.336 8.302 1.00 0.00 N ATOM 355 CA PHE A 161 2.154 -5.374 7.236 1.00 0.00 C ATOM 356 C PHE A 161 1.193 -4.281 7.696 1.00 0.00 C ATOM 357 O PHE A 161 1.277 -3.145 7.238 1.00 0.00 O ATOM 358 CB PHE A 161 1.582 -6.104 6.019 1.00 0.00 C ATOM 359 CG PHE A 161 1.320 -5.221 4.828 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.368 -4.754 4.049 1.00 0.00 C ATOM 361 CD2 PHE A 161 0.024 -4.864 4.485 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.128 -3.946 2.954 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.219 -4.057 3.389 1.00 0.00 C ATOM 364 CZ PHE A 161 0.834 -3.599 2.624 1.00 0.00 C ATOM 0 H PHE A 161 2.218 -7.302 8.052 1.00 0.00 H new ATOM 0 HA PHE A 161 3.093 -4.891 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.275 -6.893 5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.650 -6.590 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.383 -5.025 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.804 -5.220 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.953 -3.586 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.232 -3.785 3.132 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.645 -2.969 1.767 1.00 0.00 H new ATOM 374 N ARG A 162 0.290 -4.623 8.608 1.00 0.00 N ATOM 375 CA ARG A 162 -0.667 -3.651 9.118 1.00 0.00 C ATOM 376 C ARG A 162 0.026 -2.593 9.972 1.00 0.00 C ATOM 377 O ARG A 162 -0.427 -1.453 10.040 1.00 0.00 O ATOM 378 CB ARG A 162 -1.777 -4.338 9.921 1.00 0.00 C ATOM 379 CG ARG A 162 -1.291 -5.094 11.146 1.00 0.00 C ATOM 380 CD ARG A 162 -2.454 -5.650 11.953 1.00 0.00 C ATOM 381 NE ARG A 162 -3.334 -6.491 11.139 1.00 0.00 N ATOM 382 CZ ARG A 162 -3.490 -7.800 11.319 1.00 0.00 C ATOM 383 NH1 ARG A 162 -2.847 -8.424 12.294 1.00 0.00 N ATOM 384 NH2 ARG A 162 -4.309 -8.481 10.530 1.00 0.00 N ATOM 0 H ARG A 162 0.201 -5.558 9.006 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.120 -3.156 8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.499 -3.585 10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.305 -5.032 9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.638 -5.910 10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.696 -4.430 11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.069 -6.232 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.029 -4.826 12.375 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.860 -6.046 10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.227 -7.901 12.913 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.971 -9.428 12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.818 -8.001 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.431 -9.485 10.666 1.00 0.00 H new ATOM 398 N ASP A 163 1.124 -2.971 10.616 1.00 0.00 N ATOM 399 CA ASP A 163 1.880 -2.043 11.447 1.00 0.00 C ATOM 400 C ASP A 163 2.799 -1.209 10.567 1.00 0.00 C ATOM 401 O ASP A 163 3.027 -0.027 10.819 1.00 0.00 O ATOM 402 CB ASP A 163 2.698 -2.801 12.491 1.00 0.00 C ATOM 403 CG ASP A 163 3.068 -1.941 13.682 1.00 0.00 C ATOM 404 OD1 ASP A 163 3.962 -1.085 13.557 1.00 0.00 O ATOM 405 OD2 ASP A 163 2.470 -2.141 14.761 1.00 0.00 O ATOM 0 H ASP A 163 1.510 -3.914 10.578 1.00 0.00 H new ATOM 0 HA ASP A 163 1.184 -1.387 11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.129 -3.665 12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.608 -3.182 12.027 1.00 0.00 H new ATOM 411 N TYR A 164 3.301 -1.839 9.513 1.00 0.00 N ATOM 412 CA TYR A 164 4.124 -1.159 8.527 1.00 0.00 C ATOM 413 C TYR A 164 3.310 -0.072 7.839 1.00 0.00 C ATOM 414 O TYR A 164 3.747 1.073 7.734 1.00 0.00 O ATOM 415 CB TYR A 164 4.658 -2.180 7.512 1.00 0.00 C ATOM 416 CG TYR A 164 5.142 -1.582 6.208 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.104 -0.577 6.182 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.637 -2.038 4.998 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.540 -0.043 4.984 1.00 0.00 C ATOM 420 CE2 TYR A 164 5.070 -1.511 3.798 1.00 0.00 C ATOM 421 CZ TYR A 164 6.019 -0.514 3.796 1.00 0.00 C ATOM 422 OH TYR A 164 6.451 0.008 2.602 1.00 0.00 O ATOM 0 H TYR A 164 3.149 -2.829 9.320 1.00 0.00 H new ATOM 0 HA TYR A 164 4.975 -0.686 9.018 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.479 -2.732 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.871 -2.902 7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.516 -0.209 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.892 -2.820 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.285 0.739 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.667 -1.879 2.866 1.00 0.00 H new ATOM 0 HH TYR A 164 5.984 -0.435 1.863 1.00 0.00 H new ATOM 432 N VAL A 165 2.116 -0.437 7.393 1.00 0.00 N ATOM 433 CA VAL A 165 1.186 0.519 6.810 1.00 0.00 C ATOM 434 C VAL A 165 0.788 1.576 7.833 1.00 0.00 C ATOM 435 O VAL A 165 0.629 2.747 7.497 1.00 0.00 O ATOM 436 CB VAL A 165 -0.066 -0.200 6.258 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.276 0.717 6.210 1.00 0.00 C ATOM 438 CG2 VAL A 165 0.222 -0.747 4.874 1.00 0.00 C ATOM 0 H VAL A 165 1.767 -1.395 7.424 1.00 0.00 H new ATOM 0 HA VAL A 165 1.688 1.016 5.980 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.301 -1.019 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.132 0.169 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.504 1.072 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.062 1.569 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.664 -1.252 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.489 0.073 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 165 1.049 -1.455 4.927 1.00 0.00 H new ATOM 448 N ASP A 166 0.650 1.160 9.084 1.00 0.00 N ATOM 449 CA ASP A 166 0.291 2.075 10.159 1.00 0.00 C ATOM 450 C ASP A 166 1.345 3.168 10.318 1.00 0.00 C ATOM 451 O ASP A 166 1.016 4.352 10.343 1.00 0.00 O ATOM 452 CB ASP A 166 0.112 1.296 11.466 1.00 0.00 C ATOM 453 CG ASP A 166 -0.174 2.190 12.649 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.235 2.851 12.663 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.647 2.215 13.587 1.00 0.00 O ATOM 0 H ASP A 166 0.781 0.193 9.380 1.00 0.00 H new ATOM 0 HA ASP A 166 -0.652 2.559 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.705 0.584 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 166 1.014 0.717 11.664 1.00 0.00 H new ATOM 461 N ARG A 167 2.611 2.772 10.376 1.00 0.00 N ATOM 462 CA ARG A 167 3.707 3.730 10.499 1.00 0.00 C ATOM 463 C ARG A 167 3.862 4.546 9.216 1.00 0.00 C ATOM 464 O ARG A 167 4.115 5.753 9.259 1.00 0.00 O ATOM 465 CB ARG A 167 5.023 3.018 10.816 1.00 0.00 C ATOM 466 CG ARG A 167 5.019 2.284 12.146 1.00 0.00 C ATOM 467 CD ARG A 167 6.401 1.757 12.497 1.00 0.00 C ATOM 468 NE ARG A 167 6.888 0.771 11.531 1.00 0.00 N ATOM 469 CZ ARG A 167 7.866 1.002 10.654 1.00 0.00 C ATOM 470 NH1 ARG A 167 8.445 2.196 10.601 1.00 0.00 N ATOM 471 NH2 ARG A 167 8.264 0.037 9.835 1.00 0.00 N ATOM 0 H ARG A 167 2.905 1.796 10.340 1.00 0.00 H new ATOM 0 HA ARG A 167 3.464 4.404 11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.241 2.306 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 167 5.830 3.751 10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.674 2.956 12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 167 4.313 1.455 12.103 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.102 2.590 12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.373 1.306 13.489 1.00 0.00 H new ATOM 0 HE ARG A 167 6.452 -0.151 11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.142 2.938 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 167 9.193 2.371 9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 167 7.822 -0.881 9.876 1.00 0.00 H new ATOM 0 HH22 ARG A 167 9.012 0.214 9.164 1.00 0.00 H new ATOM 485 N PHE A 168 3.711 3.875 8.080 1.00 0.00 N ATOM 486 CA PHE A 168 3.807 4.514 6.773 1.00 0.00 C ATOM 487 C PHE A 168 2.759 5.624 6.650 1.00 0.00 C ATOM 488 O PHE A 168 3.084 6.787 6.405 1.00 0.00 O ATOM 489 CB PHE A 168 3.598 3.453 5.683 1.00 0.00 C ATOM 490 CG PHE A 168 4.033 3.866 4.303 1.00 0.00 C ATOM 491 CD1 PHE A 168 3.372 4.870 3.626 1.00 0.00 C ATOM 492 CD2 PHE A 168 5.100 3.233 3.681 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.759 5.238 2.357 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.494 3.600 2.408 1.00 0.00 C ATOM 495 CZ PHE A 168 4.820 4.606 1.744 1.00 0.00 C ATOM 0 H PHE A 168 3.519 2.874 8.039 1.00 0.00 H new ATOM 0 HA PHE A 168 4.793 4.964 6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.142 2.552 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.541 3.190 5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 168 2.541 5.373 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.628 2.445 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 168 3.230 6.025 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.327 3.101 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 168 5.123 4.896 0.749 1.00 0.00 H new ATOM 505 N TYR A 169 1.504 5.243 6.851 1.00 0.00 N ATOM 506 CA TYR A 169 0.373 6.162 6.779 1.00 0.00 C ATOM 507 C TYR A 169 0.524 7.348 7.739 1.00 0.00 C ATOM 508 O TYR A 169 0.245 8.487 7.360 1.00 0.00 O ATOM 509 CB TYR A 169 -0.917 5.381 7.057 1.00 0.00 C ATOM 510 CG TYR A 169 -2.115 6.219 7.440 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.898 6.823 6.470 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.473 6.388 8.772 1.00 0.00 C ATOM 513 CE1 TYR A 169 -4.003 7.571 6.811 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.582 7.133 9.123 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.345 7.724 8.138 1.00 0.00 C ATOM 516 OH TYR A 169 -5.451 8.467 8.481 1.00 0.00 O ATOM 0 H TYR A 169 1.240 4.282 7.070 1.00 0.00 H new ATOM 0 HA TYR A 169 0.335 6.590 5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.169 4.802 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.724 4.667 7.858 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.638 6.705 5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -1.875 5.929 9.545 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.600 8.037 6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.850 7.252 10.162 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.551 8.474 9.456 1.00 0.00 H new ATOM 526 N LYS A 170 0.963 7.089 8.970 1.00 0.00 N ATOM 527 CA LYS A 170 1.161 8.166 9.943 1.00 0.00 C ATOM 528 C LYS A 170 2.183 9.170 9.430 1.00 0.00 C ATOM 529 O LYS A 170 2.001 10.384 9.558 1.00 0.00 O ATOM 530 CB LYS A 170 1.646 7.629 11.293 1.00 0.00 C ATOM 531 CG LYS A 170 0.652 6.743 12.024 1.00 0.00 C ATOM 532 CD LYS A 170 1.178 6.382 13.406 1.00 0.00 C ATOM 533 CE LYS A 170 0.335 5.312 14.082 1.00 0.00 C ATOM 534 NZ LYS A 170 -1.101 5.678 14.134 1.00 0.00 N ATOM 0 H LYS A 170 1.186 6.156 9.316 1.00 0.00 H new ATOM 0 HA LYS A 170 0.193 8.649 10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.565 7.065 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.898 8.474 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.305 7.257 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 170 0.472 5.835 11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 170 2.207 6.031 13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.196 7.275 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 170 0.449 4.370 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.703 5.148 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.608 5.008 14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -1.200 6.640 14.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.503 5.643 13.175 1.00 0.00 H new ATOM 548 N THR A 171 3.260 8.653 8.853 1.00 0.00 N ATOM 549 CA THR A 171 4.334 9.487 8.346 1.00 0.00 C ATOM 550 C THR A 171 3.857 10.332 7.168 1.00 0.00 C ATOM 551 O THR A 171 4.170 11.518 7.085 1.00 0.00 O ATOM 552 CB THR A 171 5.546 8.635 7.922 1.00 0.00 C ATOM 553 OG1 THR A 171 5.942 7.786 9.007 1.00 0.00 O ATOM 554 CG2 THR A 171 6.720 9.514 7.514 1.00 0.00 C ATOM 0 H THR A 171 3.410 7.652 8.725 1.00 0.00 H new ATOM 0 HA THR A 171 4.642 10.151 9.153 1.00 0.00 H new ATOM 0 HB THR A 171 5.253 8.031 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.269 7.085 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.560 8.885 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.428 10.145 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.014 10.142 8.355 1.00 0.00 H new ATOM 562 N LEU A 172 3.068 9.730 6.279 1.00 0.00 N ATOM 563 CA LEU A 172 2.560 10.437 5.107 1.00 0.00 C ATOM 564 C LEU A 172 1.715 11.641 5.499 1.00 0.00 C ATOM 565 O LEU A 172 1.707 12.652 4.797 1.00 0.00 O ATOM 566 CB LEU A 172 1.728 9.517 4.222 1.00 0.00 C ATOM 567 CG LEU A 172 2.492 8.430 3.489 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.555 7.730 2.529 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.682 9.018 2.743 1.00 0.00 C ATOM 0 H LEU A 172 2.768 8.758 6.349 1.00 0.00 H new ATOM 0 HA LEU A 172 3.432 10.781 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 172 0.965 9.044 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.207 10.128 3.485 1.00 0.00 H new ATOM 0 HG LEU A 172 2.876 7.710 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 172 2.096 6.947 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 172 0.729 7.287 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 172 1.164 8.451 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 172 4.216 8.222 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 172 3.330 9.751 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.353 9.502 3.452 1.00 0.00 H new ATOM 581 N ARG A 173 1.010 11.536 6.619 1.00 0.00 N ATOM 582 CA ARG A 173 0.187 12.640 7.101 1.00 0.00 C ATOM 583 C ARG A 173 1.055 13.821 7.532 1.00 0.00 C ATOM 584 O ARG A 173 0.564 14.937 7.696 1.00 0.00 O ATOM 585 CB ARG A 173 -0.701 12.207 8.267 1.00 0.00 C ATOM 586 CG ARG A 173 -1.775 11.216 7.875 1.00 0.00 C ATOM 587 CD ARG A 173 -2.833 11.086 8.945 1.00 0.00 C ATOM 588 NE ARG A 173 -3.605 12.322 9.064 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.358 12.651 10.111 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.477 11.834 11.150 1.00 0.00 N ATOM 591 NH2 ARG A 173 -4.996 13.811 10.115 1.00 0.00 N ATOM 0 H ARG A 173 0.991 10.703 7.208 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.451 12.949 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.077 11.765 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -1.173 13.089 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -2.239 11.533 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -1.322 10.242 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.499 10.257 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.364 10.852 9.900 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.563 12.981 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.987 10.939 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.058 12.101 11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -4.908 14.444 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -5.575 14.072 10.913 1.00 0.00 H new ATOM 605 N ALA A 174 2.342 13.566 7.734 1.00 0.00 N ATOM 606 CA ALA A 174 3.284 14.615 8.102 1.00 0.00 C ATOM 607 C ALA A 174 4.231 14.919 6.945 1.00 0.00 C ATOM 608 O ALA A 174 4.975 15.902 6.978 1.00 0.00 O ATOM 609 CB ALA A 174 4.071 14.216 9.342 1.00 0.00 C ATOM 0 H ALA A 174 2.758 12.639 7.649 1.00 0.00 H new ATOM 0 HA ALA A 174 2.717 15.518 8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.769 15.012 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.384 14.051 10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.625 13.299 9.142 1.00 0.00 H new ATOM 615 N GLU A 175 4.197 14.070 5.928 1.00 0.00 N ATOM 616 CA GLU A 175 5.014 14.252 4.737 1.00 0.00 C ATOM 617 C GLU A 175 4.604 15.517 3.992 1.00 0.00 C ATOM 618 O GLU A 175 3.432 15.714 3.669 1.00 0.00 O ATOM 619 CB GLU A 175 4.897 13.029 3.824 1.00 0.00 C ATOM 620 CG GLU A 175 5.794 11.871 4.230 1.00 0.00 C ATOM 621 CD GLU A 175 7.262 12.192 4.045 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.899 12.693 4.993 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.781 11.964 2.931 1.00 0.00 O ATOM 0 H GLU A 175 3.605 13.239 5.905 1.00 0.00 H new ATOM 0 HA GLU A 175 6.054 14.360 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 175 3.861 12.689 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.141 13.325 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.608 11.618 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.539 10.992 3.639 1.00 0.00 H new ATOM 631 N GLN A 176 5.576 16.377 3.733 1.00 0.00 N ATOM 632 CA GLN A 176 5.308 17.671 3.127 1.00 0.00 C ATOM 633 C GLN A 176 5.439 17.606 1.606 1.00 0.00 C ATOM 634 O GLN A 176 6.545 17.503 1.074 1.00 0.00 O ATOM 635 CB GLN A 176 6.262 18.722 3.706 1.00 0.00 C ATOM 636 CG GLN A 176 5.915 20.147 3.316 1.00 0.00 C ATOM 637 CD GLN A 176 6.860 21.163 3.925 1.00 0.00 C ATOM 638 OE1 GLN A 176 7.883 21.514 3.332 1.00 0.00 O ATOM 639 NE2 GLN A 176 6.528 21.641 5.116 1.00 0.00 N ATOM 0 H GLN A 176 6.560 16.201 3.934 1.00 0.00 H new ATOM 0 HA GLN A 176 4.281 17.955 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 176 6.259 18.642 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 176 7.276 18.501 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 176 5.939 20.239 2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 176 4.896 20.369 3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 176 5.673 21.324 5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 176 7.128 22.326 5.576 1.00 0.00 H new ATOM 648 N ALA A 177 4.296 17.621 0.927 1.00 0.00 N ATOM 649 CA ALA A 177 4.232 17.692 -0.533 1.00 0.00 C ATOM 650 C ALA A 177 2.788 17.857 -0.963 1.00 0.00 C ATOM 651 O ALA A 177 1.890 17.822 -0.122 1.00 0.00 O ATOM 652 CB ALA A 177 4.822 16.450 -1.196 1.00 0.00 C ATOM 0 H ALA A 177 3.381 17.584 1.375 1.00 0.00 H new ATOM 0 HA ALA A 177 4.826 18.549 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.752 16.548 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.868 16.346 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.267 15.568 -0.875 1.00 0.00 H new ATOM 658 N SER A 178 2.563 18.050 -2.252 1.00 0.00 N ATOM 659 CA SER A 178 1.214 18.034 -2.787 1.00 0.00 C ATOM 660 C SER A 178 0.660 16.616 -2.687 1.00 0.00 C ATOM 661 O SER A 178 1.377 15.661 -3.001 1.00 0.00 O ATOM 662 CB SER A 178 1.215 18.508 -4.245 1.00 0.00 C ATOM 663 OG SER A 178 1.831 19.782 -4.374 1.00 0.00 O ATOM 0 H SER A 178 3.294 18.219 -2.943 1.00 0.00 H new ATOM 0 HA SER A 178 0.583 18.712 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.742 17.783 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.191 18.558 -4.614 1.00 0.00 H new ATOM 0 HG SER A 178 1.819 20.058 -5.314 1.00 0.00 H new ATOM 669 N GLN A 179 -0.576 16.471 -2.219 1.00 0.00 N ATOM 670 CA GLN A 179 -1.137 15.147 -1.930 1.00 0.00 C ATOM 671 C GLN A 179 -0.930 14.184 -3.092 1.00 0.00 C ATOM 672 O GLN A 179 -0.459 13.068 -2.894 1.00 0.00 O ATOM 673 CB GLN A 179 -2.632 15.225 -1.610 1.00 0.00 C ATOM 674 CG GLN A 179 -2.990 16.040 -0.376 1.00 0.00 C ATOM 675 CD GLN A 179 -2.937 17.533 -0.618 1.00 0.00 C ATOM 676 OE1 GLN A 179 -1.915 18.180 -0.391 1.00 0.00 O ATOM 677 NE2 GLN A 179 -4.029 18.084 -1.113 1.00 0.00 N ATOM 0 H GLN A 179 -1.209 17.248 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.604 14.773 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.149 15.651 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.012 14.212 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.992 15.766 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -2.306 15.784 0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -4.855 17.512 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -4.047 19.082 -1.322 1.00 0.00 H new ATOM 686 N GLU A 180 -1.262 14.634 -4.299 1.00 0.00 N ATOM 687 CA GLU A 180 -1.155 13.805 -5.501 1.00 0.00 C ATOM 688 C GLU A 180 0.252 13.232 -5.661 1.00 0.00 C ATOM 689 O GLU A 180 0.420 12.068 -6.027 1.00 0.00 O ATOM 690 CB GLU A 180 -1.527 14.612 -6.751 1.00 0.00 C ATOM 691 CG GLU A 180 -2.976 15.080 -6.789 1.00 0.00 C ATOM 692 CD GLU A 180 -3.270 16.180 -5.791 1.00 0.00 C ATOM 693 OE1 GLU A 180 -3.827 15.882 -4.719 1.00 0.00 O ATOM 694 OE2 GLU A 180 -2.927 17.345 -6.077 1.00 0.00 O ATOM 0 H GLU A 180 -1.611 15.577 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.854 12.977 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -0.875 15.483 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.331 14.003 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.211 15.435 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.631 14.232 -6.590 1.00 0.00 H new ATOM 702 N VAL A 181 1.257 14.050 -5.370 1.00 0.00 N ATOM 703 CA VAL A 181 2.645 13.617 -5.455 1.00 0.00 C ATOM 704 C VAL A 181 2.926 12.554 -4.402 1.00 0.00 C ATOM 705 O VAL A 181 3.571 11.539 -4.675 1.00 0.00 O ATOM 706 CB VAL A 181 3.622 14.796 -5.261 1.00 0.00 C ATOM 707 CG1 VAL A 181 5.059 14.340 -5.455 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.284 15.937 -6.209 1.00 0.00 C ATOM 0 H VAL A 181 1.135 15.018 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 181 2.799 13.204 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 181 3.517 15.162 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.731 15.186 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.296 13.563 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.182 13.943 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.985 16.757 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.355 15.587 -7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.270 16.285 -6.013 1.00 0.00 H new ATOM 718 N LYS A 182 2.420 12.791 -3.196 1.00 0.00 N ATOM 719 CA LYS A 182 2.567 11.834 -2.112 1.00 0.00 C ATOM 720 C LYS A 182 1.828 10.541 -2.442 1.00 0.00 C ATOM 721 O LYS A 182 2.326 9.450 -2.171 1.00 0.00 O ATOM 722 CB LYS A 182 2.069 12.423 -0.789 1.00 0.00 C ATOM 723 CG LYS A 182 3.048 13.411 -0.175 1.00 0.00 C ATOM 724 CD LYS A 182 4.373 12.734 0.156 1.00 0.00 C ATOM 725 CE LYS A 182 5.452 13.750 0.499 1.00 0.00 C ATOM 726 NZ LYS A 182 6.772 13.118 0.769 1.00 0.00 N ATOM 0 H LYS A 182 1.906 13.636 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 182 3.627 11.607 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 182 1.114 12.922 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.887 11.613 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 182 3.220 14.236 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.618 13.839 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 182 4.234 12.053 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 182 4.696 12.132 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 182 5.554 14.457 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 182 5.142 14.322 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 7.498 13.857 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 6.720 12.569 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 7.022 12.486 -0.018 1.00 0.00 H new ATOM 740 N ASN A 183 0.652 10.672 -3.048 1.00 0.00 N ATOM 741 CA ASN A 183 -0.140 9.517 -3.465 1.00 0.00 C ATOM 742 C ASN A 183 0.633 8.665 -4.456 1.00 0.00 C ATOM 743 O ASN A 183 0.798 7.461 -4.252 1.00 0.00 O ATOM 744 CB ASN A 183 -1.465 9.946 -4.112 1.00 0.00 C ATOM 745 CG ASN A 183 -2.369 10.720 -3.175 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.325 10.546 -1.961 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.219 11.561 -3.740 1.00 0.00 N ATOM 0 H ASN A 183 0.223 11.572 -3.263 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.354 8.938 -2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.251 10.559 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.993 9.060 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.870 12.093 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.224 11.677 -4.753 1.00 0.00 H new ATOM 754 N ALA A 184 1.114 9.305 -5.518 1.00 0.00 N ATOM 755 CA ALA A 184 1.809 8.608 -6.593 1.00 0.00 C ATOM 756 C ALA A 184 3.034 7.873 -6.067 1.00 0.00 C ATOM 757 O ALA A 184 3.268 6.714 -6.406 1.00 0.00 O ATOM 758 CB ALA A 184 2.206 9.588 -7.688 1.00 0.00 C ATOM 0 H ALA A 184 1.034 10.312 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 184 1.128 7.868 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.724 9.054 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.312 10.064 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.866 10.350 -7.273 1.00 0.00 H new ATOM 764 N ALA A 185 3.805 8.545 -5.222 1.00 0.00 N ATOM 765 CA ALA A 185 4.994 7.946 -4.634 1.00 0.00 C ATOM 766 C ALA A 185 4.628 6.739 -3.775 1.00 0.00 C ATOM 767 O ALA A 185 5.228 5.672 -3.893 1.00 0.00 O ATOM 768 CB ALA A 185 5.747 8.978 -3.810 1.00 0.00 C ATOM 0 H ALA A 185 3.627 9.506 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 185 5.640 7.601 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.635 8.519 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 185 6.045 9.808 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 185 5.102 9.348 -3.013 1.00 0.00 H new ATOM 774 N THR A 186 3.619 6.914 -2.934 1.00 0.00 N ATOM 775 CA THR A 186 3.176 5.867 -2.022 1.00 0.00 C ATOM 776 C THR A 186 2.750 4.602 -2.764 1.00 0.00 C ATOM 777 O THR A 186 2.946 3.495 -2.262 1.00 0.00 O ATOM 778 CB THR A 186 2.017 6.361 -1.139 1.00 0.00 C ATOM 779 OG1 THR A 186 2.433 7.519 -0.412 1.00 0.00 O ATOM 780 CG2 THR A 186 1.556 5.284 -0.166 1.00 0.00 C ATOM 0 H THR A 186 3.086 7.781 -2.864 1.00 0.00 H new ATOM 0 HA THR A 186 4.030 5.619 -1.392 1.00 0.00 H new ATOM 0 HB THR A 186 1.177 6.608 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.423 8.299 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.737 5.669 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.216 4.411 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.385 5.000 0.482 1.00 0.00 H new ATOM 788 N GLU A 187 2.162 4.766 -3.948 1.00 0.00 N ATOM 789 CA GLU A 187 1.706 3.625 -4.742 1.00 0.00 C ATOM 790 C GLU A 187 2.803 2.577 -4.878 1.00 0.00 C ATOM 791 O GLU A 187 2.592 1.399 -4.584 1.00 0.00 O ATOM 792 CB GLU A 187 1.275 4.065 -6.138 1.00 0.00 C ATOM 793 CG GLU A 187 0.140 5.068 -6.156 1.00 0.00 C ATOM 794 CD GLU A 187 -0.388 5.293 -7.553 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.229 4.490 -8.003 1.00 0.00 O ATOM 796 OE2 GLU A 187 0.043 6.263 -8.210 1.00 0.00 O ATOM 0 H GLU A 187 1.990 5.675 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 187 0.854 3.193 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.134 4.498 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.975 3.185 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.668 4.715 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.485 6.015 -5.741 1.00 0.00 H new ATOM 804 N THR A 188 3.977 3.021 -5.296 1.00 0.00 N ATOM 805 CA THR A 188 5.091 2.123 -5.527 1.00 0.00 C ATOM 806 C THR A 188 5.905 1.904 -4.259 1.00 0.00 C ATOM 807 O THR A 188 6.275 0.776 -3.939 1.00 0.00 O ATOM 808 CB THR A 188 6.010 2.665 -6.634 1.00 0.00 C ATOM 809 OG1 THR A 188 6.295 4.051 -6.397 1.00 0.00 O ATOM 810 CG2 THR A 188 5.363 2.502 -7.997 1.00 0.00 C ATOM 0 H THR A 188 4.181 4.003 -5.482 1.00 0.00 H new ATOM 0 HA THR A 188 4.671 1.167 -5.841 1.00 0.00 H new ATOM 0 HB THR A 188 6.939 2.095 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.882 4.390 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.030 2.892 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 188 5.171 1.446 -8.185 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.422 3.051 -8.021 1.00 0.00 H new ATOM 818 N LEU A 189 6.170 2.985 -3.535 1.00 0.00 N ATOM 819 CA LEU A 189 7.012 2.926 -2.343 1.00 0.00 C ATOM 820 C LEU A 189 6.435 1.991 -1.288 1.00 0.00 C ATOM 821 O LEU A 189 7.182 1.343 -0.561 1.00 0.00 O ATOM 822 CB LEU A 189 7.216 4.325 -1.761 1.00 0.00 C ATOM 823 CG LEU A 189 7.986 5.288 -2.665 1.00 0.00 C ATOM 824 CD1 LEU A 189 8.071 6.665 -2.025 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.376 4.747 -2.957 1.00 0.00 C ATOM 0 H LEU A 189 5.814 3.916 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 189 7.979 2.524 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.240 4.758 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.747 4.235 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 189 7.449 5.381 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.622 7.338 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 189 7.066 7.055 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.586 6.590 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.910 5.445 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.923 4.625 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.293 3.782 -3.457 1.00 0.00 H new ATOM 837 N LEU A 190 5.108 1.906 -1.219 1.00 0.00 N ATOM 838 CA LEU A 190 4.450 0.989 -0.294 1.00 0.00 C ATOM 839 C LEU A 190 4.906 -0.443 -0.553 1.00 0.00 C ATOM 840 O LEU A 190 5.160 -1.204 0.377 1.00 0.00 O ATOM 841 CB LEU A 190 2.925 1.080 -0.438 1.00 0.00 C ATOM 842 CG LEU A 190 2.125 0.182 0.508 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.376 0.574 1.954 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.640 0.253 0.181 1.00 0.00 C ATOM 0 H LEU A 190 4.470 2.459 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 190 4.726 1.273 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.622 2.114 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.658 0.828 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 190 2.457 -0.847 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.799 -0.075 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.437 0.470 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.072 1.609 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.086 -0.392 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.292 1.280 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.477 -0.079 -0.844 1.00 0.00 H new ATOM 856 N VAL A 191 5.005 -0.792 -1.826 1.00 0.00 N ATOM 857 CA VAL A 191 5.416 -2.126 -2.230 1.00 0.00 C ATOM 858 C VAL A 191 6.933 -2.277 -2.149 1.00 0.00 C ATOM 859 O VAL A 191 7.441 -3.322 -1.747 1.00 0.00 O ATOM 860 CB VAL A 191 4.942 -2.439 -3.668 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.287 -3.866 -4.059 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.447 -2.193 -3.804 1.00 0.00 C ATOM 0 H VAL A 191 4.804 -0.163 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 191 4.952 -2.834 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 191 5.466 -1.768 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.942 -4.058 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.367 -4.006 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.800 -4.559 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.132 -2.419 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.908 -2.835 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.228 -1.149 -3.580 1.00 0.00 H new ATOM 872 N GLN A 192 7.645 -1.220 -2.518 1.00 0.00 N ATOM 873 CA GLN A 192 9.105 -1.261 -2.604 1.00 0.00 C ATOM 874 C GLN A 192 9.761 -1.328 -1.229 1.00 0.00 C ATOM 875 O GLN A 192 10.794 -1.976 -1.065 1.00 0.00 O ATOM 876 CB GLN A 192 9.639 -0.048 -3.364 1.00 0.00 C ATOM 877 CG GLN A 192 9.183 0.016 -4.809 1.00 0.00 C ATOM 878 CD GLN A 192 9.821 1.160 -5.568 1.00 0.00 C ATOM 879 OE1 GLN A 192 9.188 2.323 -5.539 1.00 0.00 O flip ATOM 880 NE2 GLN A 192 10.878 0.997 -6.180 1.00 0.00 N flip ATOM 0 H GLN A 192 7.236 -0.319 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 192 9.360 -2.172 -3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.321 0.860 -2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 192 10.729 -0.064 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 192 9.424 -0.924 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 192 8.099 0.123 -4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 192 11.334 0.084 -6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.297 1.775 -6.690 1.00 0.00 H new ATOM 889 N ASN A 193 9.166 -0.664 -0.247 1.00 0.00 N ATOM 890 CA ASN A 193 9.737 -0.623 1.099 1.00 0.00 C ATOM 891 C ASN A 193 9.312 -1.842 1.911 1.00 0.00 C ATOM 892 O ASN A 193 9.674 -1.977 3.080 1.00 0.00 O ATOM 893 CB ASN A 193 9.324 0.656 1.838 1.00 0.00 C ATOM 894 CG ASN A 193 9.816 1.927 1.169 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.844 1.934 0.491 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.092 3.019 1.367 1.00 0.00 N ATOM 0 H ASN A 193 8.293 -0.148 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 193 10.822 -0.631 0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.237 0.690 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.710 0.618 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.381 3.905 0.951 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.246 2.974 1.935 1.00 0.00 H new ATOM 903 N ALA A 194 8.542 -2.722 1.287 1.00 0.00 N ATOM 904 CA ALA A 194 8.094 -3.939 1.939 1.00 0.00 C ATOM 905 C ALA A 194 9.097 -5.068 1.720 1.00 0.00 C ATOM 906 O ALA A 194 9.897 -5.027 0.780 1.00 0.00 O ATOM 907 CB ALA A 194 6.720 -4.337 1.423 1.00 0.00 C ATOM 0 H ALA A 194 8.215 -2.613 0.327 1.00 0.00 H new ATOM 0 HA ALA A 194 8.022 -3.751 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.396 -5.251 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.008 -3.538 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.770 -4.507 0.348 1.00 0.00 H new ATOM 913 N ASN A 195 9.043 -6.068 2.592 1.00 0.00 N ATOM 914 CA ASN A 195 9.946 -7.216 2.519 1.00 0.00 C ATOM 915 C ASN A 195 9.719 -8.005 1.235 1.00 0.00 C ATOM 916 O ASN A 195 8.615 -7.987 0.694 1.00 0.00 O ATOM 917 CB ASN A 195 9.748 -8.128 3.734 1.00 0.00 C ATOM 918 CG ASN A 195 10.173 -7.469 5.027 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.134 -6.706 5.062 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.447 -7.751 6.093 1.00 0.00 N ATOM 0 H ASN A 195 8.378 -6.109 3.365 1.00 0.00 H new ATOM 0 HA ASN A 195 10.970 -6.841 2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.698 -8.413 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.319 -9.046 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.676 -7.329 6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.657 -8.391 6.017 1.00 0.00 H new ATOM 927 N PRO A 196 10.752 -8.712 0.736 1.00 0.00 N ATOM 928 CA PRO A 196 10.712 -9.379 -0.573 1.00 0.00 C ATOM 929 C PRO A 196 9.457 -10.221 -0.774 1.00 0.00 C ATOM 930 O PRO A 196 8.818 -10.160 -1.831 1.00 0.00 O ATOM 931 CB PRO A 196 11.965 -10.269 -0.578 1.00 0.00 C ATOM 932 CG PRO A 196 12.503 -10.229 0.814 1.00 0.00 C ATOM 933 CD PRO A 196 12.038 -8.932 1.407 1.00 0.00 C ATOM 0 HA PRO A 196 10.691 -8.651 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.718 -11.289 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.702 -9.901 -1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.139 -11.076 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.591 -10.288 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.924 -9.000 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.741 -8.122 1.211 1.00 0.00 H new ATOM 941 N ASP A 197 9.095 -10.987 0.246 1.00 0.00 N ATOM 942 CA ASP A 197 7.924 -11.856 0.161 1.00 0.00 C ATOM 943 C ASP A 197 6.647 -11.029 0.039 1.00 0.00 C ATOM 944 O ASP A 197 5.834 -11.257 -0.857 1.00 0.00 O ATOM 945 CB ASP A 197 7.834 -12.779 1.375 1.00 0.00 C ATOM 946 CG ASP A 197 6.662 -13.740 1.279 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.575 -14.482 0.278 1.00 0.00 O ATOM 948 OD2 ASP A 197 5.835 -13.776 2.215 1.00 0.00 O ATOM 0 H ASP A 197 9.590 -11.026 1.137 1.00 0.00 H new ATOM 0 HA ASP A 197 8.033 -12.471 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 197 8.760 -13.346 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.736 -12.179 2.279 1.00 0.00 H new ATOM 954 N CYS A 198 6.491 -10.049 0.925 1.00 0.00 N ATOM 955 CA CYS A 198 5.332 -9.165 0.896 1.00 0.00 C ATOM 956 C CYS A 198 5.264 -8.438 -0.442 1.00 0.00 C ATOM 957 O CYS A 198 4.204 -8.336 -1.053 1.00 0.00 O ATOM 958 CB CYS A 198 5.410 -8.143 2.034 1.00 0.00 C ATOM 959 SG CYS A 198 5.760 -8.862 3.658 1.00 0.00 S ATOM 0 H CYS A 198 7.155 -9.848 1.673 1.00 0.00 H new ATOM 0 HA CYS A 198 4.433 -9.768 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 198 6.184 -7.413 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.466 -7.601 2.085 1.00 0.00 H new ATOM 0 HG CYS A 198 6.441 -8.014 4.370 1.00 0.00 H new ATOM 965 N LYS A 199 6.420 -7.966 -0.893 1.00 0.00 N ATOM 966 CA LYS A 199 6.550 -7.261 -2.164 1.00 0.00 C ATOM 967 C LYS A 199 6.034 -8.117 -3.319 1.00 0.00 C ATOM 968 O LYS A 199 5.411 -7.615 -4.255 1.00 0.00 O ATOM 969 CB LYS A 199 8.024 -6.901 -2.378 1.00 0.00 C ATOM 970 CG LYS A 199 8.309 -6.082 -3.626 1.00 0.00 C ATOM 971 CD LYS A 199 9.760 -5.623 -3.659 1.00 0.00 C ATOM 972 CE LYS A 199 10.101 -4.793 -2.430 1.00 0.00 C ATOM 973 NZ LYS A 199 11.513 -4.329 -2.427 1.00 0.00 N ATOM 0 H LYS A 199 7.299 -8.062 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 199 5.949 -6.352 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 199 8.377 -6.346 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.605 -7.822 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 199 8.092 -6.677 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.649 -5.215 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 199 10.418 -6.491 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.938 -5.035 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.438 -3.929 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.915 -5.385 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.574 -3.406 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 12.104 -5.019 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.850 -4.237 -3.406 1.00 0.00 H new ATOM 987 N THR A 200 6.282 -9.414 -3.225 1.00 0.00 N ATOM 988 CA THR A 200 5.848 -10.362 -4.238 1.00 0.00 C ATOM 989 C THR A 200 4.330 -10.564 -4.186 1.00 0.00 C ATOM 990 O THR A 200 3.675 -10.702 -5.222 1.00 0.00 O ATOM 991 CB THR A 200 6.570 -11.713 -4.051 1.00 0.00 C ATOM 992 OG1 THR A 200 7.991 -11.513 -4.106 1.00 0.00 O ATOM 993 CG2 THR A 200 6.158 -12.717 -5.118 1.00 0.00 C ATOM 0 H THR A 200 6.788 -9.838 -2.447 1.00 0.00 H new ATOM 0 HA THR A 200 6.105 -9.954 -5.216 1.00 0.00 H new ATOM 0 HB THR A 200 6.286 -12.114 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.283 -11.019 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.685 -13.657 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 200 5.083 -12.889 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.410 -12.325 -6.103 1.00 0.00 H new ATOM 1001 N ILE A 201 3.778 -10.558 -2.979 1.00 0.00 N ATOM 1002 CA ILE A 201 2.344 -10.742 -2.789 1.00 0.00 C ATOM 1003 C ILE A 201 1.573 -9.491 -3.214 1.00 0.00 C ATOM 1004 O ILE A 201 0.521 -9.581 -3.843 1.00 0.00 O ATOM 1005 CB ILE A 201 2.012 -11.067 -1.318 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.800 -12.292 -0.851 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.516 -11.307 -1.151 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.619 -12.606 0.618 1.00 0.00 C ATOM 0 H ILE A 201 4.303 -10.427 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 201 2.041 -11.582 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 201 2.299 -10.214 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.493 -13.157 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.859 -12.130 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.298 -11.535 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.031 -10.413 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.210 -12.145 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.207 -13.486 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.953 -11.758 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.566 -12.800 0.821 1.00 0.00 H new ATOM 1020 N LEU A 202 2.119 -8.329 -2.875 1.00 0.00 N ATOM 1021 CA LEU A 202 1.490 -7.051 -3.199 1.00 0.00 C ATOM 1022 C LEU A 202 1.330 -6.885 -4.708 1.00 0.00 C ATOM 1023 O LEU A 202 0.312 -6.386 -5.184 1.00 0.00 O ATOM 1024 CB LEU A 202 2.319 -5.898 -2.626 1.00 0.00 C ATOM 1025 CG LEU A 202 2.461 -5.903 -1.104 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.394 -4.795 -0.650 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.102 -5.759 -0.443 1.00 0.00 C ATOM 0 H LEU A 202 3.002 -8.244 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 202 0.497 -7.036 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.314 -5.930 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.864 -4.956 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 202 2.892 -6.858 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.482 -4.815 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.378 -4.942 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.994 -3.831 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.222 -5.765 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.645 -4.819 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.462 -6.590 -0.741 1.00 0.00 H new ATOM 1039 N LYS A 203 2.336 -7.318 -5.458 1.00 0.00 N ATOM 1040 CA LYS A 203 2.274 -7.264 -6.913 1.00 0.00 C ATOM 1041 C LYS A 203 1.312 -8.314 -7.460 1.00 0.00 C ATOM 1042 O LYS A 203 0.760 -8.153 -8.548 1.00 0.00 O ATOM 1043 CB LYS A 203 3.664 -7.448 -7.530 1.00 0.00 C ATOM 1044 CG LYS A 203 4.577 -6.244 -7.358 1.00 0.00 C ATOM 1045 CD LYS A 203 3.886 -4.962 -7.794 1.00 0.00 C ATOM 1046 CE LYS A 203 4.862 -3.808 -7.931 1.00 0.00 C ATOM 1047 NZ LYS A 203 5.752 -3.971 -9.113 1.00 0.00 N ATOM 0 H LYS A 203 3.201 -7.709 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 203 1.901 -6.278 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.139 -8.319 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.554 -7.660 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.879 -6.160 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.486 -6.387 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 203 3.384 -5.127 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 203 3.115 -4.701 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.309 -2.873 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.468 -3.736 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.233 -3.071 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 6.460 -4.706 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.185 -4.250 -9.939 1.00 0.00 H new ATOM 1061 N ALA A 204 1.124 -9.390 -6.705 1.00 0.00 N ATOM 1062 CA ALA A 204 0.235 -10.469 -7.119 1.00 0.00 C ATOM 1063 C ALA A 204 -1.222 -10.021 -7.105 1.00 0.00 C ATOM 1064 O ALA A 204 -2.042 -10.536 -7.865 1.00 0.00 O ATOM 1065 CB ALA A 204 0.429 -11.686 -6.227 1.00 0.00 C ATOM 0 H ALA A 204 1.575 -9.539 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 204 0.490 -10.741 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.241 -12.483 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.461 -12.029 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.206 -11.419 -5.194 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.542 -9.069 -6.233 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.882 -8.491 -6.187 1.00 0.00 C ATOM 1073 C LEU A 205 -3.216 -7.800 -7.504 1.00 0.00 C ATOM 1074 O LEU A 205 -4.239 -8.082 -8.131 1.00 0.00 O ATOM 1075 CB LEU A 205 -2.998 -7.468 -5.059 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.634 -7.943 -3.743 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -4.936 -8.678 -3.993 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.679 -8.798 -2.938 1.00 0.00 C ATOM 0 H LEU A 205 -0.892 -8.681 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.582 -9.308 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -1.998 -7.096 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.578 -6.622 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.857 -7.053 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.360 -9.001 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.638 -8.013 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.747 -9.549 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.164 -9.115 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.398 -9.676 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.786 -8.220 -2.699 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.344 -6.891 -7.910 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.564 -6.141 -9.126 1.00 0.00 C ATOM 1092 C GLY A 206 -3.229 -4.805 -8.856 1.00 0.00 C ATOM 1093 O GLY A 206 -3.627 -4.529 -7.724 1.00 0.00 O ATOM 0 H GLY A 206 -1.483 -6.659 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.611 -5.977 -9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.186 -6.725 -9.805 1.00 0.00 H new ATOM 1097 N PRO A 207 -3.371 -3.954 -9.882 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.986 -2.628 -9.733 1.00 0.00 C ATOM 1099 C PRO A 207 -5.497 -2.700 -9.515 1.00 0.00 C ATOM 1100 O PRO A 207 -6.132 -1.708 -9.159 1.00 0.00 O ATOM 1101 CB PRO A 207 -3.666 -1.938 -11.061 1.00 0.00 C ATOM 1102 CG PRO A 207 -3.498 -3.049 -12.039 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.931 -4.210 -11.268 1.00 0.00 C ATOM 0 HA PRO A 207 -3.604 -2.101 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.470 -1.266 -11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -2.760 -1.337 -10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -4.452 -3.314 -12.494 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -2.829 -2.756 -12.848 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.310 -5.162 -11.640 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.844 -4.249 -11.343 1.00 0.00 H new ATOM 1111 N ALA A 208 -6.063 -3.882 -9.716 1.00 0.00 N ATOM 1112 CA ALA A 208 -7.496 -4.089 -9.540 1.00 0.00 C ATOM 1113 C ALA A 208 -7.824 -4.476 -8.100 1.00 0.00 C ATOM 1114 O ALA A 208 -8.891 -5.027 -7.819 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.987 -5.162 -10.496 1.00 0.00 C ATOM 0 H ALA A 208 -5.550 -4.716 -10.002 1.00 0.00 H new ATOM 0 HA ALA A 208 -8.005 -3.151 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -9.058 -5.310 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.793 -4.851 -11.523 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.463 -6.096 -10.295 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.900 -4.188 -7.196 1.00 0.00 N ATOM 1122 CA ALA A 209 -7.068 -4.511 -5.788 1.00 0.00 C ATOM 1123 C ALA A 209 -6.943 -3.259 -4.927 1.00 0.00 C ATOM 1124 O ALA A 209 -6.468 -2.223 -5.390 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.042 -5.547 -5.368 1.00 0.00 C ATOM 0 H ALA A 209 -6.017 -3.726 -7.416 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.067 -4.923 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.175 -5.783 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.174 -6.452 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.039 -5.151 -5.528 1.00 0.00 H new ATOM 1131 N THR A 210 -7.368 -3.367 -3.674 1.00 0.00 N ATOM 1132 CA THR A 210 -7.360 -2.238 -2.753 1.00 0.00 C ATOM 1133 C THR A 210 -6.299 -2.439 -1.680 1.00 0.00 C ATOM 1134 O THR A 210 -5.648 -3.485 -1.642 1.00 0.00 O ATOM 1135 CB THR A 210 -8.727 -2.084 -2.060 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.009 -3.268 -1.297 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.834 -1.850 -3.078 1.00 0.00 C ATOM 0 H THR A 210 -7.725 -4.233 -3.270 1.00 0.00 H new ATOM 0 HA THR A 210 -7.142 -1.342 -3.334 1.00 0.00 H new ATOM 0 HB THR A 210 -8.686 -1.218 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.878 -3.172 -0.853 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.788 -1.745 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.624 -0.940 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.884 -2.697 -3.762 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.130 -1.457 -0.800 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.235 -1.611 0.339 1.00 0.00 C ATOM 1147 C LEU A 211 -5.725 -2.740 1.234 1.00 0.00 C ATOM 1148 O LEU A 211 -4.935 -3.505 1.783 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.159 -0.316 1.149 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.243 -0.366 2.371 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.781 -0.422 1.952 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.498 0.828 3.269 1.00 0.00 C ATOM 0 H LEU A 211 -6.598 -0.552 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.240 -1.847 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.819 0.485 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.164 -0.053 1.479 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.467 -1.274 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.149 -0.457 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.609 -1.314 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.536 0.464 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.838 0.779 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.303 1.747 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.536 0.818 3.602 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.042 -2.855 1.341 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.663 -3.822 2.230 1.00 0.00 C ATOM 1166 C GLU A 212 -7.370 -5.251 1.773 1.00 0.00 C ATOM 1167 O GLU A 212 -7.307 -6.176 2.590 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.168 -3.566 2.288 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.837 -4.150 3.515 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.279 -3.714 3.646 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.521 -2.556 4.051 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -12.177 -4.523 3.345 1.00 0.00 O ATOM 0 H GLU A 212 -7.705 -2.284 0.817 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.244 -3.706 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.346 -2.491 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.634 -3.986 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.792 -5.238 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.286 -3.847 4.405 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.158 -5.427 0.472 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.802 -6.726 -0.067 1.00 0.00 C ATOM 1182 C GLU A 213 -5.360 -7.041 0.296 1.00 0.00 C ATOM 1183 O GLU A 213 -5.011 -8.189 0.537 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.988 -6.761 -1.586 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.410 -6.467 -2.037 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.429 -7.421 -1.444 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.977 -7.118 -0.364 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.700 -8.472 -2.064 1.00 0.00 O ATOM 0 H GLU A 213 -7.228 -4.685 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.461 -7.479 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.315 -6.035 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.695 -7.744 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.670 -5.446 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.459 -6.522 -3.125 1.00 0.00 H new ATOM 1196 N MET A 214 -4.539 -5.995 0.352 1.00 0.00 N ATOM 1197 CA MET A 214 -3.131 -6.126 0.721 1.00 0.00 C ATOM 1198 C MET A 214 -3.009 -6.532 2.182 1.00 0.00 C ATOM 1199 O MET A 214 -2.180 -7.368 2.545 1.00 0.00 O ATOM 1200 CB MET A 214 -2.391 -4.800 0.509 1.00 0.00 C ATOM 1201 CG MET A 214 -2.615 -4.194 -0.860 1.00 0.00 C ATOM 1202 SD MET A 214 -1.985 -5.228 -2.186 1.00 0.00 S ATOM 1203 CE MET A 214 -2.946 -4.600 -3.555 1.00 0.00 C ATOM 0 H MET A 214 -4.828 -5.039 0.145 1.00 0.00 H new ATOM 0 HA MET A 214 -2.685 -6.892 0.087 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.713 -4.088 1.269 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.323 -4.962 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.682 -4.028 -1.009 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.132 -3.218 -0.905 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.474 -4.890 -4.494 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.954 -5.014 -3.512 1.00 0.00 H new ATOM 0 HE3 MET A 214 -2.997 -3.513 -3.495 1.00 0.00 H new ATOM 1213 N MET A 215 -3.847 -5.924 3.015 1.00 0.00 N ATOM 1214 CA MET A 215 -3.878 -6.237 4.439 1.00 0.00 C ATOM 1215 C MET A 215 -4.186 -7.716 4.625 1.00 0.00 C ATOM 1216 O MET A 215 -3.448 -8.442 5.292 1.00 0.00 O ATOM 1217 CB MET A 215 -4.940 -5.392 5.157 1.00 0.00 C ATOM 1218 CG MET A 215 -4.914 -3.913 4.791 1.00 0.00 C ATOM 1219 SD MET A 215 -3.353 -3.103 5.185 1.00 0.00 S ATOM 1220 CE MET A 215 -3.438 -3.059 6.971 1.00 0.00 C ATOM 0 H MET A 215 -4.516 -5.210 2.727 1.00 0.00 H new ATOM 0 HA MET A 215 -2.904 -6.006 4.870 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.926 -5.795 4.925 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.800 -5.491 6.233 1.00 0.00 H new ATOM 0 HG2 MET A 215 -5.110 -3.807 3.724 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.722 -3.403 5.316 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.836 -2.230 7.344 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.474 -2.924 7.283 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.056 -3.996 7.377 1.00 0.00 H new ATOM 1230 N THR A 216 -5.265 -8.159 3.990 1.00 0.00 N ATOM 1231 CA THR A 216 -5.682 -9.552 4.049 1.00 0.00 C ATOM 1232 C THR A 216 -4.668 -10.457 3.342 1.00 0.00 C ATOM 1233 O THR A 216 -4.491 -11.619 3.713 1.00 0.00 O ATOM 1234 CB THR A 216 -7.075 -9.729 3.413 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.980 -8.757 3.959 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.619 -11.128 3.670 1.00 0.00 C ATOM 0 H THR A 216 -5.871 -7.566 3.423 1.00 0.00 H new ATOM 0 HA THR A 216 -5.733 -9.841 5.099 1.00 0.00 H new ATOM 0 HB THR A 216 -6.981 -9.587 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.830 -7.891 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.603 -11.226 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.942 -11.866 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.702 -11.295 4.744 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.997 -9.914 2.332 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.969 -10.647 1.602 1.00 0.00 C ATOM 1246 C ALA A 217 -1.869 -11.110 2.546 1.00 0.00 C ATOM 1247 O ALA A 217 -1.494 -12.284 2.549 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.387 -9.791 0.484 1.00 0.00 C ATOM 0 H ALA A 217 -4.148 -8.962 1.998 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.432 -11.526 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.622 -10.357 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.179 -9.511 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.942 -8.891 0.909 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.376 -10.186 3.364 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.356 -10.501 4.353 1.00 0.00 C ATOM 1256 C CYS A 218 -0.924 -11.412 5.438 1.00 0.00 C ATOM 1257 O CYS A 218 -0.210 -12.246 5.997 1.00 0.00 O ATOM 1258 CB CYS A 218 0.189 -9.218 4.984 1.00 0.00 C ATOM 1259 SG CYS A 218 1.423 -9.492 6.281 1.00 0.00 S ATOM 0 H CYS A 218 -1.669 -9.209 3.360 1.00 0.00 H new ATOM 0 HA CYS A 218 0.458 -11.021 3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.632 -8.602 4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 218 -0.642 -8.652 5.403 1.00 0.00 H new ATOM 0 HG CYS A 218 1.340 -10.718 6.707 1.00 0.00 H new ATOM 1472 N THR B 2 -1.366 4.278 -3.244 1.00 0.00 N ATOM 1473 CA THR B 2 -1.446 5.711 -2.928 1.00 0.00 C ATOM 1474 C THR B 2 -1.828 5.992 -1.458 1.00 0.00 C ATOM 1475 O THR B 2 -2.245 5.103 -0.713 1.00 0.00 O ATOM 1476 CB THR B 2 -2.341 6.526 -3.931 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.099 7.530 -3.256 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.291 5.664 -4.747 1.00 0.00 C ATOM 0 HA THR B 2 -0.428 6.078 -3.060 1.00 0.00 H new ATOM 0 HB THR B 2 -1.635 6.986 -4.622 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.758 7.912 -3.873 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.874 6.298 -5.415 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.718 4.947 -5.335 1.00 0.00 H new ATOM 0 HG23 THR B 2 -3.963 5.128 -4.077 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.601 7.226 -1.031 1.00 0.00 N ATOM 1487 CA PHE B 3 -1.957 7.673 0.312 1.00 0.00 C ATOM 1488 C PHE B 3 -3.473 7.769 0.443 1.00 0.00 C ATOM 1489 O PHE B 3 -4.027 7.574 1.526 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.302 9.031 0.591 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.537 9.577 1.974 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.563 8.740 3.076 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.698 10.938 2.169 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.743 9.248 4.347 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.884 11.454 3.437 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.904 10.608 4.528 1.00 0.00 C ATOM 0 H PHE B 3 -1.165 7.948 -1.605 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.594 6.952 1.044 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.228 8.940 0.430 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.673 9.753 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.441 7.676 2.940 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.678 11.605 1.320 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.758 8.583 5.198 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.014 12.517 3.575 1.00 0.00 H new ATOM 0 HZ PHE B 3 -2.045 11.009 5.521 1.00 0.00 H new ATOM 1526 N ASP B 5 -5.982 5.851 -0.615 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.626 4.622 -0.136 1.00 0.00 C ATOM 1528 C ASP B 5 -6.291 4.384 1.326 1.00 0.00 C ATOM 1529 O ASP B 5 -7.118 3.890 2.093 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.193 3.401 -0.958 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.304 2.366 -1.067 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -8.440 2.745 -1.430 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.044 1.167 -0.821 1.00 0.00 O ATOM 0 HA ASP B 5 -7.702 4.754 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -5.897 3.722 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.317 2.945 -0.497 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.075 4.756 1.704 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.624 4.643 3.082 1.00 0.00 C ATOM 1541 C LEU B 6 -5.540 5.434 4.008 1.00 0.00 C ATOM 1542 O LEU B 6 -5.942 4.956 5.073 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.186 5.158 3.212 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.174 4.138 3.724 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -2.731 3.427 4.937 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -1.805 3.147 2.631 1.00 0.00 C ATOM 0 H LEU B 6 -4.378 5.142 1.067 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.654 3.592 3.369 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -2.856 5.515 2.237 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.184 6.016 3.884 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.263 4.661 4.015 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.004 2.700 5.298 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -2.938 4.154 5.722 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.654 2.914 4.666 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.082 2.429 3.019 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.700 2.619 2.302 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.368 3.682 1.787 1.00 0.00 H new ATOM 1558 N LEU B 7 -5.866 6.648 3.586 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.781 7.503 4.327 1.00 0.00 C ATOM 1560 C LEU B 7 -8.161 6.863 4.438 1.00 0.00 C ATOM 1561 O LEU B 7 -8.687 6.721 5.542 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.899 8.879 3.659 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.719 9.834 3.895 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.849 11.068 3.017 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.650 10.255 5.359 1.00 0.00 C ATOM 0 H LEU B 7 -5.507 7.065 2.727 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.375 7.630 5.331 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.016 8.733 2.585 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.810 9.360 4.016 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.802 9.305 3.635 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.005 11.733 3.197 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.858 10.769 1.969 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.777 11.587 3.255 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.807 10.931 5.504 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.574 10.763 5.636 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.519 9.373 5.986 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.049 3.895 4.157 1.00 0.00 N ATOM 1598 CA TYR B 9 -8.976 2.652 4.919 1.00 0.00 C ATOM 1599 C TYR B 9 -9.143 2.914 6.414 1.00 0.00 C ATOM 1600 O TYR B 9 -10.017 2.334 7.057 1.00 0.00 O ATOM 1601 CB TYR B 9 -7.647 1.942 4.653 1.00 0.00 C ATOM 1602 CG TYR B 9 -7.456 0.675 5.457 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -8.163 -0.481 5.147 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -6.565 0.635 6.521 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -7.986 -1.641 5.877 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -6.380 -0.521 7.253 1.00 0.00 C ATOM 1607 CZ TYR B 9 -7.093 -1.656 6.926 1.00 0.00 C ATOM 1608 OH TYR B 9 -6.911 -2.811 7.651 1.00 0.00 O ATOM 0 HA TYR B 9 -9.793 2.008 4.593 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -7.582 1.700 3.592 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -6.829 2.628 4.875 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -8.861 -0.472 4.323 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.007 1.523 6.780 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -8.545 -2.531 5.627 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -5.681 -0.537 8.077 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.069 -3.588 7.074 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.303 3.782 6.963 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.364 4.108 8.383 1.00 0.00 C ATOM 1620 C TYR B 10 -9.584 4.956 8.717 1.00 0.00 C ATOM 1621 O TYR B 10 -10.144 4.849 9.807 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.089 4.812 8.840 1.00 0.00 C ATOM 1623 CG TYR B 10 -5.903 3.887 8.947 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.723 3.087 10.071 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -4.963 3.808 7.932 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.639 2.237 10.175 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -3.877 2.961 8.030 1.00 0.00 C ATOM 1628 CZ TYR B 10 -3.721 2.179 9.152 1.00 0.00 C ATOM 1629 OH TYR B 10 -2.642 1.334 9.249 1.00 0.00 O ATOM 0 H TYR B 10 -7.572 4.273 6.448 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.454 3.165 8.923 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -6.854 5.614 8.140 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.267 5.277 9.809 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.442 3.131 10.875 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.082 4.419 7.050 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.513 1.622 11.054 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.153 2.912 7.230 1.00 0.00 H new ATOM 0 HH TYR B 10 -2.848 0.487 8.800 1.00 0.00 H new