USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 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= 0.118 K(o=-1.4,f=-4.9!) USER MOD Set 1.2: A 195 ASN : amide:sc= -1.03 K(o=-1.4,f=-6.5!) USER MOD Set 1.3: A 198 CYS SG : rot 180:sc= -0.186 USER MOD Set 1.4: A 218 CYS SG : rot -33:sc= -0.349 USER MOD Set 2.1: A 192 GLN : amide:sc= 0.541 K(o=0.77,f=-0.29) USER MOD Set 2.2: A 193 ASN : amide:sc= 0.231 K(o=0.77,f=-0.9) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -97:sc= -2.67! USER MOD Single : A 169 TYR OH : rot 180:sc= -0.0354 USER MOD Single : A 170 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.16) USER MOD Single : A 171 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 176 GLN : amide:sc= 0.311 X(o=0.31,f=-0.067) USER MOD Single : A 178 SER OG : rot 180:sc= 0.00744 USER MOD Single : A 179 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.06) USER MOD Single : A 183 ASN : amide:sc= -3.79! C(o=-3.8!,f=-7.4!) USER MOD Single : A 186 THR OG1 : rot 90:sc= 1.98 USER MOD Single : A 188 THR OG1 : rot 180:sc=0.000798 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 203 LYS NZ :NH3+ 163:sc= -0.0277 (180deg=-0.281) USER MOD Single : A 210 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 214 MET CE :methyl -167:sc= -1.95 (180deg=-2.81!) USER MOD Single : A 215 MET CE :methyl 159:sc= -0.0212 (180deg=-0.574) USER MOD Single : A 216 THR OG1 : rot 89:sc= 1.29 USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.107 USER MOD Single : B 9 TYR OH : rot 90:sc= 1.17 USER MOD Single : B 10 TYR OH : rot 120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.701 9.233 5.146 1.00 0.00 N ATOM 171 CA ILE A 150 8.767 8.166 4.795 1.00 0.00 C ATOM 172 C ILE A 150 9.488 7.083 3.984 1.00 0.00 C ATOM 173 O ILE A 150 9.055 5.933 3.919 1.00 0.00 O ATOM 174 CB ILE A 150 7.553 8.712 3.996 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.508 7.615 3.770 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.996 9.301 2.663 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.974 7.012 5.050 1.00 0.00 C ATOM 0 HA ILE A 150 8.389 7.733 5.721 1.00 0.00 H new ATOM 0 HB ILE A 150 7.098 9.506 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.677 8.029 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 150 6.949 6.825 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.126 9.676 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.693 10.120 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.486 8.529 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.239 6.243 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.795 6.567 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.503 7.790 5.650 1.00 0.00 H new ATOM 189 N LEU A 151 10.623 7.464 3.406 1.00 0.00 N ATOM 190 CA LEU A 151 11.431 6.564 2.592 1.00 0.00 C ATOM 191 C LEU A 151 12.075 5.482 3.460 1.00 0.00 C ATOM 192 O LEU A 151 12.385 4.386 2.984 1.00 0.00 O ATOM 193 CB LEU A 151 12.531 7.345 1.853 1.00 0.00 C ATOM 194 CG LEU A 151 12.061 8.372 0.808 1.00 0.00 C ATOM 195 CD1 LEU A 151 11.463 9.607 1.468 1.00 0.00 C ATOM 196 CD2 LEU A 151 13.218 8.771 -0.094 1.00 0.00 C ATOM 0 H LEU A 151 11.008 8.405 3.489 1.00 0.00 H new ATOM 0 HA LEU A 151 10.773 6.092 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.136 7.866 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.184 6.627 1.356 1.00 0.00 H new ATOM 0 HG LEU A 151 11.282 7.902 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 151 11.142 10.311 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 151 10.606 9.316 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 151 12.213 10.080 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 151 12.872 9.498 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.013 9.213 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.600 7.889 -0.608 1.00 0.00 H new ATOM 208 N ASP A 152 12.266 5.794 4.739 1.00 0.00 N ATOM 209 CA ASP A 152 12.935 4.880 5.662 1.00 0.00 C ATOM 210 C ASP A 152 11.931 3.908 6.268 1.00 0.00 C ATOM 211 O ASP A 152 12.305 2.901 6.868 1.00 0.00 O ATOM 212 CB ASP A 152 13.649 5.666 6.765 1.00 0.00 C ATOM 213 CG ASP A 152 14.494 4.781 7.666 1.00 0.00 C ATOM 214 OD1 ASP A 152 14.142 4.622 8.855 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.520 4.247 7.192 1.00 0.00 O ATOM 0 H ASP A 152 11.967 6.673 5.161 1.00 0.00 H new ATOM 0 HA ASP A 152 13.678 4.308 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 152 14.285 6.426 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.908 6.190 7.369 1.00 0.00 H new ATOM 221 N ILE A 153 10.652 4.214 6.095 1.00 0.00 N ATOM 222 CA ILE A 153 9.588 3.356 6.593 1.00 0.00 C ATOM 223 C ILE A 153 9.492 2.105 5.729 1.00 0.00 C ATOM 224 O ILE A 153 8.895 2.122 4.653 1.00 0.00 O ATOM 225 CB ILE A 153 8.228 4.089 6.615 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.312 5.349 7.487 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.122 3.166 7.116 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.687 5.074 8.932 1.00 0.00 C ATOM 0 H ILE A 153 10.327 5.052 5.613 1.00 0.00 H new ATOM 0 HA ILE A 153 9.831 3.078 7.619 1.00 0.00 H new ATOM 0 HB ILE A 153 7.986 4.388 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.046 6.030 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.350 5.860 7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.174 3.704 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.044 2.301 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.357 2.832 8.127 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.726 6.014 9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.941 4.419 9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.664 4.591 8.969 1.00 0.00 H new ATOM 240 N ARG A 154 10.101 1.026 6.202 1.00 0.00 N ATOM 241 CA ARG A 154 10.190 -0.204 5.433 1.00 0.00 C ATOM 242 C ARG A 154 9.748 -1.390 6.283 1.00 0.00 C ATOM 243 O ARG A 154 9.944 -1.399 7.499 1.00 0.00 O ATOM 244 CB ARG A 154 11.621 -0.391 4.913 1.00 0.00 C ATOM 245 CG ARG A 154 12.072 0.753 4.014 1.00 0.00 C ATOM 246 CD ARG A 154 13.501 0.588 3.528 1.00 0.00 C ATOM 247 NE ARG A 154 13.922 1.722 2.701 1.00 0.00 N ATOM 248 CZ ARG A 154 15.066 1.777 2.015 1.00 0.00 C ATOM 249 NH1 ARG A 154 15.929 0.769 2.053 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.346 2.852 1.288 1.00 0.00 N ATOM 0 H ARG A 154 10.543 0.980 7.120 1.00 0.00 H new ATOM 0 HA ARG A 154 9.522 -0.143 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.303 -0.474 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.683 -1.329 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.405 0.818 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 154 11.984 1.693 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.169 0.493 4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 154 13.587 -0.334 2.953 1.00 0.00 H new ATOM 0 HE ARG A 154 13.297 2.526 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.721 -0.059 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.800 0.823 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.688 3.631 1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.219 2.899 0.762 1.00 0.00 H new ATOM 264 N GLN A 155 9.147 -2.379 5.635 1.00 0.00 N ATOM 265 CA GLN A 155 8.531 -3.504 6.328 1.00 0.00 C ATOM 266 C GLN A 155 9.518 -4.652 6.483 1.00 0.00 C ATOM 267 O GLN A 155 10.293 -4.947 5.571 1.00 0.00 O ATOM 268 CB GLN A 155 7.307 -3.987 5.548 1.00 0.00 C ATOM 269 CG GLN A 155 6.443 -4.992 6.299 1.00 0.00 C ATOM 270 CD GLN A 155 5.326 -5.549 5.440 1.00 0.00 C ATOM 271 OE1 GLN A 155 4.861 -4.900 4.509 1.00 0.00 O ATOM 272 NE2 GLN A 155 4.869 -6.751 5.758 1.00 0.00 N ATOM 0 H GLN A 155 9.073 -2.425 4.619 1.00 0.00 H new ATOM 0 HA GLN A 155 8.227 -3.169 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.695 -3.124 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 155 7.641 -4.439 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.068 -5.811 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.016 -4.513 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.280 -7.263 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.106 -7.165 5.222 1.00 0.00 H new ATOM 281 N GLY A 156 9.480 -5.299 7.634 1.00 0.00 N ATOM 282 CA GLY A 156 10.332 -6.443 7.865 1.00 0.00 C ATOM 283 C GLY A 156 9.672 -7.735 7.418 1.00 0.00 C ATOM 284 O GLY A 156 8.451 -7.791 7.283 1.00 0.00 O ATOM 0 H GLY A 156 8.872 -5.052 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.272 -6.310 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.576 -6.507 8.926 1.00 0.00 H new ATOM 288 N PRO A 157 10.457 -8.796 7.185 1.00 0.00 N ATOM 289 CA PRO A 157 9.935 -10.097 6.750 1.00 0.00 C ATOM 290 C PRO A 157 9.164 -10.791 7.863 1.00 0.00 C ATOM 291 O PRO A 157 8.313 -11.643 7.621 1.00 0.00 O ATOM 292 CB PRO A 157 11.196 -10.883 6.386 1.00 0.00 C ATOM 293 CG PRO A 157 12.282 -10.259 7.194 1.00 0.00 C ATOM 294 CD PRO A 157 11.920 -8.806 7.335 1.00 0.00 C ATOM 0 HA PRO A 157 9.230 -10.010 5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 157 11.085 -11.941 6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 157 11.409 -10.817 5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.363 -10.736 8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 157 13.248 -10.373 6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.226 -8.409 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 157 12.405 -8.196 6.573 1.00 0.00 H new ATOM 302 N LYS A 158 9.476 -10.405 9.088 1.00 0.00 N ATOM 303 CA LYS A 158 8.787 -10.907 10.266 1.00 0.00 C ATOM 304 C LYS A 158 7.755 -9.892 10.743 1.00 0.00 C ATOM 305 O LYS A 158 7.245 -9.985 11.857 1.00 0.00 O ATOM 306 CB LYS A 158 9.797 -11.179 11.381 1.00 0.00 C ATOM 307 CG LYS A 158 10.825 -10.070 11.528 1.00 0.00 C ATOM 308 CD LYS A 158 11.597 -10.172 12.831 1.00 0.00 C ATOM 309 CE LYS A 158 10.734 -9.777 14.019 1.00 0.00 C ATOM 310 NZ LYS A 158 11.538 -9.644 15.260 1.00 0.00 N ATOM 0 H LYS A 158 10.215 -9.734 9.295 1.00 0.00 H new ATOM 0 HA LYS A 158 8.278 -11.835 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.265 -11.303 12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.310 -12.119 11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 158 11.522 -10.110 10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.324 -9.103 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 158 11.957 -11.192 12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 158 12.475 -9.528 12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.233 -8.833 13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 158 9.955 -10.525 14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 10.917 -9.374 16.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 11.996 -10.552 15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.265 -8.913 15.126 1.00 0.00 H new ATOM 324 N GLU A 159 7.469 -8.911 9.901 1.00 0.00 N ATOM 325 CA GLU A 159 6.560 -7.840 10.265 1.00 0.00 C ATOM 326 C GLU A 159 5.321 -7.829 9.368 1.00 0.00 C ATOM 327 O GLU A 159 5.427 -7.920 8.144 1.00 0.00 O ATOM 328 CB GLU A 159 7.303 -6.513 10.177 1.00 0.00 C ATOM 329 CG GLU A 159 6.450 -5.299 10.470 1.00 0.00 C ATOM 330 CD GLU A 159 7.285 -4.056 10.617 1.00 0.00 C ATOM 331 OE1 GLU A 159 8.089 -3.761 9.708 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.152 -3.372 11.649 1.00 0.00 O ATOM 0 H GLU A 159 7.855 -8.836 8.960 1.00 0.00 H new ATOM 0 HA GLU A 159 6.213 -8.000 11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.139 -6.532 10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.725 -6.413 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.727 -5.159 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.881 -5.466 11.385 1.00 0.00 H new ATOM 340 N PRO A 160 4.128 -7.737 9.984 1.00 0.00 N ATOM 341 CA PRO A 160 2.851 -7.672 9.261 1.00 0.00 C ATOM 342 C PRO A 160 2.661 -6.346 8.521 1.00 0.00 C ATOM 343 O PRO A 160 3.056 -5.280 8.998 1.00 0.00 O ATOM 344 CB PRO A 160 1.804 -7.815 10.373 1.00 0.00 C ATOM 345 CG PRO A 160 2.487 -7.348 11.610 1.00 0.00 C ATOM 346 CD PRO A 160 3.937 -7.707 11.449 1.00 0.00 C ATOM 0 HA PRO A 160 2.785 -8.439 8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 160 0.919 -7.215 10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.472 -8.849 10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.364 -6.273 11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.063 -7.826 12.493 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.587 -6.971 11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.164 -8.672 11.903 1.00 0.00 H new ATOM 354 N PHE A 161 2.028 -6.435 7.352 1.00 0.00 N ATOM 355 CA PHE A 161 1.811 -5.281 6.478 1.00 0.00 C ATOM 356 C PHE A 161 0.919 -4.232 7.141 1.00 0.00 C ATOM 357 O PHE A 161 1.045 -3.038 6.872 1.00 0.00 O ATOM 358 CB PHE A 161 1.187 -5.752 5.160 1.00 0.00 C ATOM 359 CG PHE A 161 0.981 -4.665 4.143 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.050 -4.170 3.410 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.282 -4.149 3.910 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.861 -3.177 2.468 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.476 -3.156 2.971 1.00 0.00 C ATOM 364 CZ PHE A 161 0.596 -2.669 2.248 1.00 0.00 C ATOM 0 H PHE A 161 1.651 -7.308 6.984 1.00 0.00 H new ATOM 0 HA PHE A 161 2.776 -4.812 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.825 -6.522 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.225 -6.218 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.041 -4.565 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -1.125 -4.527 4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.701 -2.799 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.466 -2.760 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.445 -1.893 1.512 1.00 0.00 H new ATOM 374 N ARG A 162 0.018 -4.679 8.007 1.00 0.00 N ATOM 375 CA ARG A 162 -0.894 -3.769 8.694 1.00 0.00 C ATOM 376 C ARG A 162 -0.153 -2.891 9.705 1.00 0.00 C ATOM 377 O ARG A 162 -0.527 -1.738 9.926 1.00 0.00 O ATOM 378 CB ARG A 162 -2.017 -4.548 9.379 1.00 0.00 C ATOM 379 CG ARG A 162 -1.529 -5.646 10.306 1.00 0.00 C ATOM 380 CD ARG A 162 -2.692 -6.340 10.988 1.00 0.00 C ATOM 381 NE ARG A 162 -3.616 -6.944 10.032 1.00 0.00 N ATOM 382 CZ ARG A 162 -4.939 -6.817 10.102 1.00 0.00 C ATOM 383 NH1 ARG A 162 -5.482 -6.025 11.022 1.00 0.00 N ATOM 384 NH2 ARG A 162 -5.713 -7.466 9.241 1.00 0.00 N ATOM 0 H ARG A 162 -0.102 -5.662 8.251 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.334 -3.112 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.633 -3.852 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.658 -4.989 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.949 -6.374 9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.863 -5.223 11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.310 -7.111 11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.230 -5.620 11.605 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.225 -7.494 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.885 -5.516 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.496 -5.927 11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.294 -8.061 8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.727 -7.369 9.294 1.00 0.00 H new ATOM 398 N ASP A 163 0.898 -3.442 10.308 1.00 0.00 N ATOM 399 CA ASP A 163 1.740 -2.685 11.233 1.00 0.00 C ATOM 400 C ASP A 163 2.511 -1.634 10.444 1.00 0.00 C ATOM 401 O ASP A 163 2.656 -0.485 10.861 1.00 0.00 O ATOM 402 CB ASP A 163 2.717 -3.629 11.950 1.00 0.00 C ATOM 403 CG ASP A 163 3.430 -2.992 13.134 1.00 0.00 C ATOM 404 OD1 ASP A 163 3.161 -3.410 14.285 1.00 0.00 O ATOM 405 OD2 ASP A 163 4.271 -2.091 12.929 1.00 0.00 O ATOM 0 H ASP A 163 1.188 -4.411 10.173 1.00 0.00 H new ATOM 0 HA ASP A 163 1.118 -2.199 11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.171 -4.507 12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.462 -3.978 11.234 1.00 0.00 H new ATOM 411 N TYR A 164 2.957 -2.055 9.268 1.00 0.00 N ATOM 412 CA TYR A 164 3.720 -1.218 8.358 1.00 0.00 C ATOM 413 C TYR A 164 2.889 -0.029 7.871 1.00 0.00 C ATOM 414 O TYR A 164 3.347 1.115 7.908 1.00 0.00 O ATOM 415 CB TYR A 164 4.185 -2.089 7.185 1.00 0.00 C ATOM 416 CG TYR A 164 4.770 -1.340 6.011 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.033 -0.766 6.075 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.057 -1.230 4.824 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.567 -0.104 4.986 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.584 -0.567 3.737 1.00 0.00 C ATOM 421 CZ TYR A 164 5.837 -0.006 3.821 1.00 0.00 C ATOM 422 OH TYR A 164 6.365 0.644 2.733 1.00 0.00 O ATOM 0 H TYR A 164 2.796 -2.999 8.917 1.00 0.00 H new ATOM 0 HA TYR A 164 4.585 -0.803 8.875 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.931 -2.794 7.552 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.337 -2.676 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.605 -0.838 6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.074 -1.671 4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.552 0.335 5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.015 -0.488 2.822 1.00 0.00 H new ATOM 0 HH TYR A 164 6.026 1.563 2.705 1.00 0.00 H new ATOM 432 N VAL A 165 1.663 -0.307 7.433 1.00 0.00 N ATOM 433 CA VAL A 165 0.768 0.726 6.915 1.00 0.00 C ATOM 434 C VAL A 165 0.470 1.807 7.954 1.00 0.00 C ATOM 435 O VAL A 165 0.414 2.990 7.615 1.00 0.00 O ATOM 436 CB VAL A 165 -0.556 0.111 6.396 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.696 1.116 6.415 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.368 -0.414 4.987 1.00 0.00 C ATOM 0 H VAL A 165 1.264 -1.246 7.427 1.00 0.00 H new ATOM 0 HA VAL A 165 1.289 1.198 6.082 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.819 -0.708 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.605 0.643 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.859 1.462 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.443 1.965 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.304 -0.844 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.072 0.404 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.407 -1.180 4.985 1.00 0.00 H new ATOM 448 N ASP A 166 0.298 1.411 9.211 1.00 0.00 N ATOM 449 CA ASP A 166 -0.060 2.365 10.259 1.00 0.00 C ATOM 450 C ASP A 166 0.965 3.488 10.365 1.00 0.00 C ATOM 451 O ASP A 166 0.610 4.666 10.333 1.00 0.00 O ATOM 452 CB ASP A 166 -0.196 1.664 11.613 1.00 0.00 C ATOM 453 CG ASP A 166 -0.395 2.646 12.755 1.00 0.00 C ATOM 454 OD1 ASP A 166 0.596 2.963 13.449 1.00 0.00 O ATOM 455 OD2 ASP A 166 -1.536 3.114 12.961 1.00 0.00 O ATOM 0 H ASP A 166 0.399 0.447 9.528 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.021 2.799 9.984 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -1.039 0.974 11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.696 1.067 11.802 1.00 0.00 H new ATOM 461 N ARG A 167 2.238 3.131 10.440 1.00 0.00 N ATOM 462 CA ARG A 167 3.280 4.137 10.588 1.00 0.00 C ATOM 463 C ARG A 167 3.588 4.800 9.253 1.00 0.00 C ATOM 464 O ARG A 167 3.990 5.963 9.210 1.00 0.00 O ATOM 465 CB ARG A 167 4.547 3.536 11.200 1.00 0.00 C ATOM 466 CG ARG A 167 5.246 2.510 10.325 1.00 0.00 C ATOM 467 CD ARG A 167 6.453 1.923 11.037 1.00 0.00 C ATOM 468 NE ARG A 167 7.210 1.003 10.192 1.00 0.00 N ATOM 469 CZ ARG A 167 7.198 -0.318 10.345 1.00 0.00 C ATOM 470 NH1 ARG A 167 6.398 -0.872 11.245 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.974 -1.084 9.590 1.00 0.00 N ATOM 0 H ARG A 167 2.572 2.168 10.402 1.00 0.00 H new ATOM 0 HA ARG A 167 2.909 4.901 11.271 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.246 4.343 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.289 3.069 12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.549 1.713 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.561 2.976 9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.107 2.732 11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.122 1.399 11.933 1.00 0.00 H new ATOM 0 HE ARG A 167 7.780 1.396 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 167 5.793 -0.285 11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 167 6.388 -1.885 11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.582 -0.660 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 167 7.962 -2.097 9.710 1.00 0.00 H new ATOM 485 N PHE A 168 3.383 4.064 8.165 1.00 0.00 N ATOM 486 CA PHE A 168 3.561 4.609 6.826 1.00 0.00 C ATOM 487 C PHE A 168 2.581 5.758 6.615 1.00 0.00 C ATOM 488 O PHE A 168 2.973 6.876 6.290 1.00 0.00 O ATOM 489 CB PHE A 168 3.332 3.509 5.779 1.00 0.00 C ATOM 490 CG PHE A 168 3.630 3.914 4.361 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.755 4.728 3.660 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.780 3.472 3.726 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.021 5.096 2.360 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.049 3.838 2.419 1.00 0.00 C ATOM 495 CZ PHE A 168 4.169 4.650 1.738 1.00 0.00 C ATOM 0 H PHE A 168 3.093 3.086 8.186 1.00 0.00 H new ATOM 0 HA PHE A 168 4.578 4.984 6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 168 3.952 2.650 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.294 3.182 5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.853 5.078 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.473 2.836 4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.331 5.734 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 168 5.948 3.487 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.377 4.937 0.718 1.00 0.00 H new ATOM 505 N TYR A 169 1.306 5.469 6.841 1.00 0.00 N ATOM 506 CA TYR A 169 0.239 6.452 6.687 1.00 0.00 C ATOM 507 C TYR A 169 0.456 7.665 7.595 1.00 0.00 C ATOM 508 O TYR A 169 0.388 8.807 7.142 1.00 0.00 O ATOM 509 CB TYR A 169 -1.105 5.783 6.989 1.00 0.00 C ATOM 510 CG TYR A 169 -2.230 6.733 7.341 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.776 7.588 6.393 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.749 6.761 8.629 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.807 8.445 6.720 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.779 7.614 8.964 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.306 8.454 8.007 1.00 0.00 C ATOM 516 OH TYR A 169 -5.335 9.304 8.339 1.00 0.00 O ATOM 0 H TYR A 169 0.982 4.548 7.136 1.00 0.00 H new ATOM 0 HA TYR A 169 0.244 6.817 5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.404 5.196 6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.968 5.084 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.388 7.582 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.339 6.103 9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.221 9.105 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.171 7.624 9.970 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.567 9.183 9.283 1.00 0.00 H new ATOM 526 N LYS A 170 0.729 7.407 8.868 1.00 0.00 N ATOM 527 CA LYS A 170 0.892 8.472 9.855 1.00 0.00 C ATOM 528 C LYS A 170 2.090 9.365 9.545 1.00 0.00 C ATOM 529 O LYS A 170 2.038 10.576 9.769 1.00 0.00 O ATOM 530 CB LYS A 170 1.021 7.864 11.254 1.00 0.00 C ATOM 531 CG LYS A 170 -0.322 7.483 11.855 1.00 0.00 C ATOM 532 CD LYS A 170 -0.226 6.283 12.788 1.00 0.00 C ATOM 533 CE LYS A 170 0.857 6.441 13.841 1.00 0.00 C ATOM 534 NZ LYS A 170 0.915 5.256 14.738 1.00 0.00 N ATOM 0 H LYS A 170 0.843 6.466 9.244 1.00 0.00 H new ATOM 0 HA LYS A 170 0.005 9.105 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.656 6.979 11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.519 8.577 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.725 8.334 12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -1.025 7.259 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -1.187 6.134 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -0.027 5.387 12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.823 6.579 13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.666 7.337 14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 1.686 5.378 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 0.012 5.160 15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 1.088 4.401 14.172 1.00 0.00 H new ATOM 548 N THR A 171 3.159 8.774 9.025 1.00 0.00 N ATOM 549 CA THR A 171 4.346 9.545 8.669 1.00 0.00 C ATOM 550 C THR A 171 4.129 10.298 7.361 1.00 0.00 C ATOM 551 O THR A 171 4.478 11.470 7.246 1.00 0.00 O ATOM 552 CB THR A 171 5.597 8.653 8.538 1.00 0.00 C ATOM 553 OG1 THR A 171 5.761 7.872 9.729 1.00 0.00 O ATOM 554 CG2 THR A 171 6.849 9.494 8.300 1.00 0.00 C ATOM 0 H THR A 171 3.230 7.773 8.841 1.00 0.00 H new ATOM 0 HA THR A 171 4.513 10.255 9.479 1.00 0.00 H new ATOM 0 HB THR A 171 5.458 7.994 7.681 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.103 7.146 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.716 8.839 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.732 10.068 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.994 10.176 9.138 1.00 0.00 H new ATOM 562 N LEU A 172 3.529 9.630 6.383 1.00 0.00 N ATOM 563 CA LEU A 172 3.274 10.241 5.084 1.00 0.00 C ATOM 564 C LEU A 172 2.285 11.400 5.216 1.00 0.00 C ATOM 565 O LEU A 172 2.323 12.362 4.447 1.00 0.00 O ATOM 566 CB LEU A 172 2.756 9.189 4.100 1.00 0.00 C ATOM 567 CG LEU A 172 2.477 9.692 2.682 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.698 10.401 2.110 1.00 0.00 C ATOM 569 CD2 LEU A 172 2.073 8.538 1.782 1.00 0.00 C ATOM 0 H LEU A 172 3.210 8.665 6.465 1.00 0.00 H new ATOM 0 HA LEU A 172 4.210 10.644 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.485 8.381 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.837 8.762 4.502 1.00 0.00 H new ATOM 0 HG LEU A 172 1.655 10.406 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.477 10.750 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.953 11.252 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.539 9.708 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.878 8.912 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.879 7.805 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 172 1.172 8.068 2.176 1.00 0.00 H new ATOM 581 N ARG A 173 1.406 11.305 6.203 1.00 0.00 N ATOM 582 CA ARG A 173 0.470 12.376 6.504 1.00 0.00 C ATOM 583 C ARG A 173 1.212 13.606 7.034 1.00 0.00 C ATOM 584 O ARG A 173 0.702 14.722 6.972 1.00 0.00 O ATOM 585 CB ARG A 173 -0.557 11.889 7.527 1.00 0.00 C ATOM 586 CG ARG A 173 -1.790 12.768 7.623 1.00 0.00 C ATOM 587 CD ARG A 173 -2.834 12.155 8.537 1.00 0.00 C ATOM 588 NE ARG A 173 -4.114 12.859 8.448 1.00 0.00 N ATOM 589 CZ ARG A 173 -5.173 12.597 9.212 1.00 0.00 C ATOM 590 NH1 ARG A 173 -5.096 11.690 10.176 1.00 0.00 N ATOM 591 NH2 ARG A 173 -6.314 13.247 9.007 1.00 0.00 N ATOM 0 H ARG A 173 1.322 10.491 6.812 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.048 12.661 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.864 10.876 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.083 11.836 8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.509 13.753 7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.214 12.913 6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -2.977 11.107 8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.476 12.180 9.566 1.00 0.00 H new ATOM 0 HE ARG A 173 -4.201 13.601 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.222 11.189 10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.910 11.494 10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.377 13.945 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -7.126 13.048 9.591 1.00 0.00 H new ATOM 605 N ALA A 174 2.424 13.397 7.536 1.00 0.00 N ATOM 606 CA ALA A 174 3.230 14.482 8.082 1.00 0.00 C ATOM 607 C ALA A 174 4.272 14.966 7.073 1.00 0.00 C ATOM 608 O ALA A 174 4.739 16.105 7.150 1.00 0.00 O ATOM 609 CB ALA A 174 3.907 14.036 9.370 1.00 0.00 C ATOM 0 H ALA A 174 2.871 12.481 7.576 1.00 0.00 H new ATOM 0 HA ALA A 174 2.565 15.318 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.506 14.855 9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.149 13.752 10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.551 13.181 9.165 1.00 0.00 H new ATOM 615 N GLU A 175 4.650 14.097 6.139 1.00 0.00 N ATOM 616 CA GLU A 175 5.595 14.465 5.083 1.00 0.00 C ATOM 617 C GLU A 175 5.097 15.686 4.318 1.00 0.00 C ATOM 618 O GLU A 175 3.909 15.800 4.014 1.00 0.00 O ATOM 619 CB GLU A 175 5.815 13.296 4.116 1.00 0.00 C ATOM 620 CG GLU A 175 6.538 12.105 4.734 1.00 0.00 C ATOM 621 CD GLU A 175 7.960 12.432 5.160 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.138 13.262 6.076 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.908 11.858 4.580 1.00 0.00 O ATOM 0 H GLU A 175 4.318 13.134 6.090 1.00 0.00 H new ATOM 0 HA GLU A 175 6.546 14.710 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.848 12.964 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 175 6.388 13.650 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.976 11.755 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 175 6.559 11.286 4.015 1.00 0.00 H new ATOM 631 N GLN A 176 6.004 16.603 4.024 1.00 0.00 N ATOM 632 CA GLN A 176 5.647 17.842 3.350 1.00 0.00 C ATOM 633 C GLN A 176 5.638 17.649 1.842 1.00 0.00 C ATOM 634 O GLN A 176 6.687 17.648 1.198 1.00 0.00 O ATOM 635 CB GLN A 176 6.620 18.952 3.744 1.00 0.00 C ATOM 636 CG GLN A 176 6.625 19.252 5.235 1.00 0.00 C ATOM 637 CD GLN A 176 5.296 19.779 5.734 1.00 0.00 C ATOM 638 OE1 GLN A 176 5.051 20.984 5.728 1.00 0.00 O ATOM 639 NE2 GLN A 176 4.435 18.881 6.180 1.00 0.00 N ATOM 0 H GLN A 176 6.996 16.513 4.242 1.00 0.00 H new ATOM 0 HA GLN A 176 4.643 18.131 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.626 18.669 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 176 6.363 19.860 3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 176 6.879 18.344 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 176 7.404 19.983 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 176 4.678 17.891 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 176 3.527 19.178 6.537 1.00 0.00 H new ATOM 648 N ALA A 177 4.445 17.483 1.295 1.00 0.00 N ATOM 649 CA ALA A 177 4.269 17.242 -0.134 1.00 0.00 C ATOM 650 C ALA A 177 2.797 17.336 -0.507 1.00 0.00 C ATOM 651 O ALA A 177 1.928 17.083 0.326 1.00 0.00 O ATOM 652 CB ALA A 177 4.810 15.866 -0.513 1.00 0.00 C ATOM 0 H ALA A 177 3.573 17.511 1.823 1.00 0.00 H new ATOM 0 HA ALA A 177 4.825 18.003 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.671 15.702 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.872 15.814 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.274 15.098 0.045 1.00 0.00 H new ATOM 658 N SER A 178 2.519 17.717 -1.744 1.00 0.00 N ATOM 659 CA SER A 178 1.159 17.697 -2.258 1.00 0.00 C ATOM 660 C SER A 178 0.636 16.264 -2.217 1.00 0.00 C ATOM 661 O SER A 178 1.360 15.325 -2.537 1.00 0.00 O ATOM 662 CB SER A 178 1.150 18.228 -3.691 1.00 0.00 C ATOM 663 OG SER A 178 1.937 19.405 -3.802 1.00 0.00 O ATOM 0 H SER A 178 3.218 18.044 -2.411 1.00 0.00 H new ATOM 0 HA SER A 178 0.516 18.330 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.533 17.465 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.126 18.441 -3.998 1.00 0.00 H new ATOM 0 HG SER A 178 1.918 19.725 -4.728 1.00 0.00 H new ATOM 669 N GLN A 179 -0.618 16.102 -1.816 1.00 0.00 N ATOM 670 CA GLN A 179 -1.173 14.781 -1.536 1.00 0.00 C ATOM 671 C GLN A 179 -1.288 13.926 -2.789 1.00 0.00 C ATOM 672 O GLN A 179 -1.218 12.701 -2.710 1.00 0.00 O ATOM 673 CB GLN A 179 -2.528 14.903 -0.845 1.00 0.00 C ATOM 674 CG GLN A 179 -2.415 15.347 0.604 1.00 0.00 C ATOM 675 CD GLN A 179 -3.751 15.408 1.314 1.00 0.00 C ATOM 676 OE1 GLN A 179 -4.694 14.586 0.882 1.00 0.00 O flip ATOM 677 NE2 GLN A 179 -3.931 16.190 2.245 1.00 0.00 N flip ATOM 0 H GLN A 179 -1.273 16.871 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.477 14.277 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.146 15.616 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.039 13.941 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -1.758 14.660 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -1.946 16.330 0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -3.176 16.807 2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -4.835 16.222 2.716 1.00 0.00 H new ATOM 686 N GLU A 180 -1.460 14.565 -3.935 1.00 0.00 N ATOM 687 CA GLU A 180 -1.491 13.849 -5.205 1.00 0.00 C ATOM 688 C GLU A 180 -0.090 13.383 -5.571 1.00 0.00 C ATOM 689 O GLU A 180 0.085 12.420 -6.312 1.00 0.00 O ATOM 690 CB GLU A 180 -2.051 14.747 -6.305 1.00 0.00 C ATOM 691 CG GLU A 180 -3.343 15.440 -5.914 1.00 0.00 C ATOM 692 CD GLU A 180 -3.880 16.334 -7.006 1.00 0.00 C ATOM 693 OE1 GLU A 180 -5.039 16.140 -7.418 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.143 17.234 -7.459 1.00 0.00 O ATOM 0 H GLU A 180 -1.580 15.575 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.139 12.978 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.307 15.500 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.224 14.149 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -4.092 14.689 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.175 16.033 -5.015 1.00 0.00 H new ATOM 702 N VAL A 181 0.906 14.086 -5.055 1.00 0.00 N ATOM 703 CA VAL A 181 2.287 13.651 -5.178 1.00 0.00 C ATOM 704 C VAL A 181 2.551 12.536 -4.174 1.00 0.00 C ATOM 705 O VAL A 181 3.225 11.552 -4.482 1.00 0.00 O ATOM 706 CB VAL A 181 3.284 14.812 -4.945 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.724 14.331 -5.065 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.016 15.946 -5.924 1.00 0.00 C ATOM 0 H VAL A 181 0.783 14.962 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 181 2.438 13.290 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 181 3.138 15.185 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.402 15.168 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.912 13.556 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.890 13.925 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.725 16.755 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.130 15.580 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.001 16.317 -5.782 1.00 0.00 H new ATOM 718 N LYS A 182 1.985 12.696 -2.975 1.00 0.00 N ATOM 719 CA LYS A 182 2.073 11.676 -1.937 1.00 0.00 C ATOM 720 C LYS A 182 1.522 10.348 -2.442 1.00 0.00 C ATOM 721 O LYS A 182 2.183 9.314 -2.343 1.00 0.00 O ATOM 722 CB LYS A 182 1.297 12.090 -0.682 1.00 0.00 C ATOM 723 CG LYS A 182 1.883 13.280 0.057 1.00 0.00 C ATOM 724 CD LYS A 182 1.191 13.495 1.396 1.00 0.00 C ATOM 725 CE LYS A 182 1.792 14.668 2.153 1.00 0.00 C ATOM 726 NZ LYS A 182 1.233 14.802 3.526 1.00 0.00 N ATOM 0 H LYS A 182 1.460 13.527 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 182 3.127 11.564 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.271 12.324 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.254 11.241 -0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.949 13.122 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.782 14.176 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.128 13.672 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.274 12.591 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.873 14.542 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.609 15.588 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.698 15.594 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.210 14.983 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.400 13.923 4.056 1.00 0.00 H new ATOM 740 N ASN A 183 0.307 10.382 -2.991 1.00 0.00 N ATOM 741 CA ASN A 183 -0.336 9.165 -3.462 1.00 0.00 C ATOM 742 C ASN A 183 0.373 8.612 -4.690 1.00 0.00 C ATOM 743 O ASN A 183 0.491 7.403 -4.843 1.00 0.00 O ATOM 744 CB ASN A 183 -1.850 9.362 -3.712 1.00 0.00 C ATOM 745 CG ASN A 183 -2.224 10.325 -4.832 1.00 0.00 C ATOM 746 OD1 ASN A 183 -1.644 10.314 -5.913 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.205 11.172 -4.571 1.00 0.00 N ATOM 0 H ASN A 183 -0.243 11.232 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.249 8.424 -2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -2.291 8.390 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.307 9.716 -2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.501 11.844 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.666 11.154 -3.661 1.00 0.00 H new ATOM 754 N ALA A 184 0.885 9.496 -5.533 1.00 0.00 N ATOM 755 CA ALA A 184 1.623 9.084 -6.719 1.00 0.00 C ATOM 756 C ALA A 184 2.889 8.329 -6.336 1.00 0.00 C ATOM 757 O ALA A 184 3.279 7.370 -7.002 1.00 0.00 O ATOM 758 CB ALA A 184 1.973 10.288 -7.577 1.00 0.00 C ATOM 0 H ALA A 184 0.803 10.506 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 184 0.984 8.416 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.524 9.959 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.058 10.791 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.589 10.979 -7.001 1.00 0.00 H new ATOM 764 N ALA A 185 3.518 8.766 -5.256 1.00 0.00 N ATOM 765 CA ALA A 185 4.741 8.141 -4.780 1.00 0.00 C ATOM 766 C ALA A 185 4.453 6.820 -4.076 1.00 0.00 C ATOM 767 O ALA A 185 5.112 5.814 -4.344 1.00 0.00 O ATOM 768 CB ALA A 185 5.490 9.082 -3.852 1.00 0.00 C ATOM 0 H ALA A 185 3.200 9.554 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 185 5.366 7.928 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.403 8.599 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.744 9.996 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.860 9.327 -2.996 1.00 0.00 H new ATOM 774 N THR A 186 3.460 6.822 -3.191 1.00 0.00 N ATOM 775 CA THR A 186 3.172 5.657 -2.364 1.00 0.00 C ATOM 776 C THR A 186 2.721 4.453 -3.191 1.00 0.00 C ATOM 777 O THR A 186 3.048 3.323 -2.844 1.00 0.00 O ATOM 778 CB THR A 186 2.126 5.958 -1.267 1.00 0.00 C ATOM 779 OG1 THR A 186 1.911 4.799 -0.458 1.00 0.00 O ATOM 780 CG2 THR A 186 0.805 6.395 -1.864 1.00 0.00 C ATOM 0 H THR A 186 2.842 7.617 -3.029 1.00 0.00 H new ATOM 0 HA THR A 186 4.115 5.405 -1.879 1.00 0.00 H new ATOM 0 HB THR A 186 2.518 6.771 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.540 4.803 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.093 6.598 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.954 7.299 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 186 0.415 5.603 -2.504 1.00 0.00 H new ATOM 788 N GLU A 187 1.985 4.688 -4.279 1.00 0.00 N ATOM 789 CA GLU A 187 1.537 3.596 -5.152 1.00 0.00 C ATOM 790 C GLU A 187 2.713 2.728 -5.575 1.00 0.00 C ATOM 791 O GLU A 187 2.571 1.534 -5.835 1.00 0.00 O ATOM 792 CB GLU A 187 0.870 4.149 -6.409 1.00 0.00 C ATOM 793 CG GLU A 187 -0.376 4.976 -6.151 1.00 0.00 C ATOM 794 CD GLU A 187 -1.071 5.364 -7.435 1.00 0.00 C ATOM 795 OE1 GLU A 187 -0.961 6.538 -7.845 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.711 4.489 -8.055 1.00 0.00 O ATOM 0 H GLU A 187 1.687 5.617 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 187 0.822 2.998 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.592 4.762 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.609 3.316 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -1.064 4.410 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.106 5.876 -5.598 1.00 0.00 H new ATOM 804 N THR A 188 3.867 3.358 -5.656 1.00 0.00 N ATOM 805 CA THR A 188 5.071 2.701 -6.077 1.00 0.00 C ATOM 806 C THR A 188 5.843 2.127 -4.894 1.00 0.00 C ATOM 807 O THR A 188 6.105 0.925 -4.828 1.00 0.00 O ATOM 808 CB THR A 188 5.969 3.708 -6.795 1.00 0.00 C ATOM 809 OG1 THR A 188 5.163 4.731 -7.394 1.00 0.00 O ATOM 810 CG2 THR A 188 6.783 3.025 -7.869 1.00 0.00 C ATOM 0 H THR A 188 3.989 4.345 -5.429 1.00 0.00 H new ATOM 0 HA THR A 188 4.789 1.883 -6.740 1.00 0.00 H new ATOM 0 HB THR A 188 6.647 4.149 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.741 5.376 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.416 3.759 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 188 7.408 2.255 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.113 2.568 -8.598 1.00 0.00 H new ATOM 818 N LEU A 189 6.190 2.992 -3.945 1.00 0.00 N ATOM 819 CA LEU A 189 7.147 2.626 -2.914 1.00 0.00 C ATOM 820 C LEU A 189 6.518 1.872 -1.730 1.00 0.00 C ATOM 821 O LEU A 189 7.235 1.286 -0.923 1.00 0.00 O ATOM 822 CB LEU A 189 7.954 3.853 -2.458 1.00 0.00 C ATOM 823 CG LEU A 189 7.160 5.129 -2.215 1.00 0.00 C ATOM 824 CD1 LEU A 189 6.200 4.916 -1.079 1.00 0.00 C ATOM 825 CD2 LEU A 189 8.087 6.298 -1.921 1.00 0.00 C ATOM 0 H LEU A 189 5.825 3.942 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 189 7.837 1.915 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 189 8.478 3.595 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.715 4.061 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 189 6.598 5.370 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 189 5.632 5.830 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 189 5.515 4.105 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 189 6.755 4.658 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 189 7.495 7.198 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 189 8.678 6.079 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 189 8.753 6.457 -2.769 1.00 0.00 H new ATOM 837 N LEU A 190 5.190 1.881 -1.627 1.00 0.00 N ATOM 838 CA LEU A 190 4.491 1.110 -0.595 1.00 0.00 C ATOM 839 C LEU A 190 4.836 -0.374 -0.713 1.00 0.00 C ATOM 840 O LEU A 190 5.250 -1.007 0.257 1.00 0.00 O ATOM 841 CB LEU A 190 2.975 1.303 -0.725 1.00 0.00 C ATOM 842 CG LEU A 190 2.124 0.614 0.347 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.377 1.229 1.712 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.648 0.702 -0.012 1.00 0.00 C ATOM 0 H LEU A 190 4.575 2.412 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 190 4.813 1.470 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.760 2.371 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.663 0.935 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 190 2.410 -0.437 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.763 0.725 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.429 1.116 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.121 2.288 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.056 0.208 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.352 1.749 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.477 0.212 -0.971 1.00 0.00 H new ATOM 856 N VAL A 191 4.672 -0.916 -1.916 1.00 0.00 N ATOM 857 CA VAL A 191 4.998 -2.313 -2.185 1.00 0.00 C ATOM 858 C VAL A 191 6.512 -2.512 -2.164 1.00 0.00 C ATOM 859 O VAL A 191 7.013 -3.569 -1.793 1.00 0.00 O ATOM 860 CB VAL A 191 4.435 -2.760 -3.554 1.00 0.00 C ATOM 861 CG1 VAL A 191 4.730 -4.227 -3.820 1.00 0.00 C ATOM 862 CG2 VAL A 191 2.939 -2.492 -3.631 1.00 0.00 C ATOM 0 H VAL A 191 4.314 -0.406 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 191 4.540 -2.923 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 191 4.933 -2.174 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.321 -4.510 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 191 5.808 -4.387 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.272 -4.837 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 191 2.561 -2.813 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.429 -3.045 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 191 2.753 -1.425 -3.504 1.00 0.00 H new ATOM 872 N GLN A 192 7.220 -1.461 -2.551 1.00 0.00 N ATOM 873 CA GLN A 192 8.671 -1.459 -2.620 1.00 0.00 C ATOM 874 C GLN A 192 9.312 -1.700 -1.256 1.00 0.00 C ATOM 875 O GLN A 192 10.166 -2.573 -1.109 1.00 0.00 O ATOM 876 CB GLN A 192 9.113 -0.110 -3.165 1.00 0.00 C ATOM 877 CG GLN A 192 10.589 0.174 -3.031 1.00 0.00 C ATOM 878 CD GLN A 192 10.927 1.602 -3.403 1.00 0.00 C ATOM 879 OE1 GLN A 192 11.238 1.905 -4.552 1.00 0.00 O ATOM 880 NE2 GLN A 192 10.849 2.494 -2.427 1.00 0.00 N ATOM 0 H GLN A 192 6.796 -0.576 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 192 8.993 -2.272 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 192 8.841 -0.053 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 192 8.558 0.674 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 192 10.904 -0.018 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.149 -0.509 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.587 2.199 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.051 3.476 -2.616 1.00 0.00 H new ATOM 889 N ASN A 193 8.898 -0.922 -0.261 1.00 0.00 N ATOM 890 CA ASN A 193 9.517 -0.981 1.060 1.00 0.00 C ATOM 891 C ASN A 193 9.027 -2.193 1.843 1.00 0.00 C ATOM 892 O ASN A 193 9.537 -2.489 2.922 1.00 0.00 O ATOM 893 CB ASN A 193 9.240 0.293 1.866 1.00 0.00 C ATOM 894 CG ASN A 193 9.744 1.553 1.187 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.667 1.516 0.375 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.156 2.685 1.540 1.00 0.00 N ATOM 0 H ASN A 193 8.139 -0.245 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 193 10.592 -1.069 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.167 0.383 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.709 0.204 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.466 3.568 1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.393 2.674 2.217 1.00 0.00 H new ATOM 903 N ALA A 194 8.028 -2.881 1.304 1.00 0.00 N ATOM 904 CA ALA A 194 7.546 -4.115 1.903 1.00 0.00 C ATOM 905 C ALA A 194 8.608 -5.202 1.781 1.00 0.00 C ATOM 906 O ALA A 194 9.493 -5.125 0.926 1.00 0.00 O ATOM 907 CB ALA A 194 6.247 -4.556 1.242 1.00 0.00 C ATOM 0 H ALA A 194 7.537 -2.604 0.454 1.00 0.00 H new ATOM 0 HA ALA A 194 7.346 -3.939 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 194 5.900 -5.481 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.492 -3.781 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.418 -4.722 0.178 1.00 0.00 H new ATOM 913 N ASN A 195 8.525 -6.209 2.639 1.00 0.00 N ATOM 914 CA ASN A 195 9.508 -7.287 2.636 1.00 0.00 C ATOM 915 C ASN A 195 9.367 -8.134 1.373 1.00 0.00 C ATOM 916 O ASN A 195 8.287 -8.178 0.785 1.00 0.00 O ATOM 917 CB ASN A 195 9.373 -8.171 3.886 1.00 0.00 C ATOM 918 CG ASN A 195 8.064 -8.938 3.943 1.00 0.00 C ATOM 919 OD1 ASN A 195 7.933 -10.007 3.350 1.00 0.00 O ATOM 920 ND2 ASN A 195 7.103 -8.426 4.693 1.00 0.00 N ATOM 0 H ASN A 195 7.793 -6.304 3.343 1.00 0.00 H new ATOM 0 HA ASN A 195 10.499 -6.833 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 195 10.202 -8.879 3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 195 9.458 -7.546 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 195 6.217 -8.921 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 195 7.248 -7.536 5.170 1.00 0.00 H new ATOM 927 N PRO A 196 10.445 -8.814 0.943 1.00 0.00 N ATOM 928 CA PRO A 196 10.480 -9.562 -0.323 1.00 0.00 C ATOM 929 C PRO A 196 9.267 -10.468 -0.506 1.00 0.00 C ATOM 930 O PRO A 196 8.634 -10.474 -1.565 1.00 0.00 O ATOM 931 CB PRO A 196 11.765 -10.402 -0.222 1.00 0.00 C ATOM 932 CG PRO A 196 12.238 -10.251 1.186 1.00 0.00 C ATOM 933 CD PRO A 196 11.723 -8.925 1.653 1.00 0.00 C ATOM 0 HA PRO A 196 10.463 -8.890 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.569 -11.448 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.518 -10.051 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.861 -11.059 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.326 -10.288 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.590 -8.899 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.402 -8.112 1.396 1.00 0.00 H new ATOM 941 N ASP A 197 8.943 -11.211 0.543 1.00 0.00 N ATOM 942 CA ASP A 197 7.819 -12.144 0.516 1.00 0.00 C ATOM 943 C ASP A 197 6.503 -11.416 0.248 1.00 0.00 C ATOM 944 O ASP A 197 5.780 -11.749 -0.691 1.00 0.00 O ATOM 945 CB ASP A 197 7.740 -12.908 1.842 1.00 0.00 C ATOM 946 CG ASP A 197 6.544 -13.837 1.918 1.00 0.00 C ATOM 947 OD1 ASP A 197 5.545 -13.471 2.574 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.604 -14.939 1.335 1.00 0.00 O ATOM 0 H ASP A 197 9.445 -11.187 1.431 1.00 0.00 H new ATOM 0 HA ASP A 197 7.984 -12.851 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 197 8.653 -13.488 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.692 -12.194 2.664 1.00 0.00 H new ATOM 954 N CYS A 198 6.224 -10.399 1.053 1.00 0.00 N ATOM 955 CA CYS A 198 4.996 -9.624 0.917 1.00 0.00 C ATOM 956 C CYS A 198 4.965 -8.899 -0.426 1.00 0.00 C ATOM 957 O CYS A 198 3.951 -8.908 -1.122 1.00 0.00 O ATOM 958 CB CYS A 198 4.886 -8.617 2.066 1.00 0.00 C ATOM 959 SG CYS A 198 3.359 -7.649 2.074 1.00 0.00 S ATOM 0 H CYS A 198 6.834 -10.090 1.810 1.00 0.00 H new ATOM 0 HA CYS A 198 4.146 -10.305 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 198 4.965 -9.154 3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 198 5.734 -7.934 2.015 1.00 0.00 H new ATOM 0 HG CYS A 198 3.368 -6.832 3.085 1.00 0.00 H new ATOM 965 N LYS A 199 6.094 -8.299 -0.792 1.00 0.00 N ATOM 966 CA LYS A 199 6.214 -7.538 -2.033 1.00 0.00 C ATOM 967 C LYS A 199 5.861 -8.395 -3.248 1.00 0.00 C ATOM 968 O LYS A 199 5.199 -7.928 -4.176 1.00 0.00 O ATOM 969 CB LYS A 199 7.636 -6.976 -2.152 1.00 0.00 C ATOM 970 CG LYS A 199 7.923 -6.249 -3.457 1.00 0.00 C ATOM 971 CD LYS A 199 9.145 -5.347 -3.331 1.00 0.00 C ATOM 972 CE LYS A 199 10.381 -6.121 -2.900 1.00 0.00 C ATOM 973 NZ LYS A 199 10.909 -6.983 -3.989 1.00 0.00 N ATOM 0 H LYS A 199 6.950 -8.326 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 199 5.504 -6.711 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.812 -6.290 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.347 -7.795 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 199 8.085 -6.976 -4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.056 -5.653 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.337 -4.860 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.940 -4.558 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 199 11.155 -5.421 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 199 10.138 -6.738 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.751 -7.492 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 10.181 -7.669 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.166 -6.392 -4.806 1.00 0.00 H new ATOM 987 N THR A 200 6.285 -9.651 -3.224 1.00 0.00 N ATOM 988 CA THR A 200 5.985 -10.580 -4.303 1.00 0.00 C ATOM 989 C THR A 200 4.481 -10.843 -4.385 1.00 0.00 C ATOM 990 O THR A 200 3.899 -10.877 -5.471 1.00 0.00 O ATOM 991 CB THR A 200 6.740 -11.909 -4.100 1.00 0.00 C ATOM 992 OG1 THR A 200 8.144 -11.650 -3.943 1.00 0.00 O ATOM 993 CG2 THR A 200 6.522 -12.851 -5.276 1.00 0.00 C ATOM 0 H THR A 200 6.839 -10.050 -2.467 1.00 0.00 H new ATOM 0 HA THR A 200 6.314 -10.128 -5.239 1.00 0.00 H new ATOM 0 HB THR A 200 6.350 -12.388 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.305 -11.236 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 200 7.067 -13.779 -5.104 1.00 0.00 H new ATOM 0 HG22 THR A 200 5.458 -13.067 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.885 -12.381 -6.190 1.00 0.00 H new ATOM 1001 N ILE A 201 3.857 -10.993 -3.224 1.00 0.00 N ATOM 1002 CA ILE A 201 2.429 -11.269 -3.147 1.00 0.00 C ATOM 1003 C ILE A 201 1.616 -10.047 -3.569 1.00 0.00 C ATOM 1004 O ILE A 201 0.596 -10.169 -4.248 1.00 0.00 O ATOM 1005 CB ILE A 201 2.020 -11.697 -1.722 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.820 -12.928 -1.289 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.526 -11.981 -1.656 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.558 -13.355 0.139 1.00 0.00 C ATOM 0 H ILE A 201 4.321 -10.928 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 201 2.218 -12.090 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 201 2.242 -10.879 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.583 -13.757 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.883 -12.719 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.257 -12.281 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.028 -11.082 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.277 -12.783 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.160 -14.233 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.823 -12.543 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.502 -13.597 0.258 1.00 0.00 H new ATOM 1020 N LEU A 202 2.081 -8.867 -3.173 1.00 0.00 N ATOM 1021 CA LEU A 202 1.405 -7.621 -3.520 1.00 0.00 C ATOM 1022 C LEU A 202 1.417 -7.412 -5.032 1.00 0.00 C ATOM 1023 O LEU A 202 0.448 -6.916 -5.610 1.00 0.00 O ATOM 1024 CB LEU A 202 2.067 -6.432 -2.815 1.00 0.00 C ATOM 1025 CG LEU A 202 2.101 -6.515 -1.285 1.00 0.00 C ATOM 1026 CD1 LEU A 202 2.848 -5.326 -0.704 1.00 0.00 C ATOM 1027 CD2 LEU A 202 0.691 -6.594 -0.719 1.00 0.00 C ATOM 0 H LEU A 202 2.924 -8.747 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 202 0.370 -7.689 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.090 -6.337 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.541 -5.522 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 202 2.631 -7.424 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 202 2.862 -5.401 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 202 3.871 -5.319 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.347 -4.403 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 202 0.738 -6.652 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.131 -5.705 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.192 -7.481 -1.109 1.00 0.00 H new ATOM 1039 N LYS A 203 2.510 -7.807 -5.674 1.00 0.00 N ATOM 1040 CA LYS A 203 2.612 -7.718 -7.125 1.00 0.00 C ATOM 1041 C LYS A 203 1.727 -8.760 -7.799 1.00 0.00 C ATOM 1042 O LYS A 203 1.277 -8.566 -8.929 1.00 0.00 O ATOM 1043 CB LYS A 203 4.061 -7.882 -7.585 1.00 0.00 C ATOM 1044 CG LYS A 203 4.919 -6.651 -7.350 1.00 0.00 C ATOM 1045 CD LYS A 203 4.287 -5.423 -7.983 1.00 0.00 C ATOM 1046 CE LYS A 203 5.237 -4.240 -8.004 1.00 0.00 C ATOM 1047 NZ LYS A 203 6.403 -4.482 -8.896 1.00 0.00 N ATOM 0 H LYS A 203 3.336 -8.191 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 203 2.266 -6.727 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.505 -8.729 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 203 4.070 -8.123 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.045 -6.489 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.913 -6.810 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 203 3.979 -5.658 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 203 3.386 -5.154 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.702 -3.351 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.589 -4.039 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.868 -3.577 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.079 -5.113 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 6.078 -4.925 -9.779 1.00 0.00 H new ATOM 1061 N ALA A 204 1.484 -9.864 -7.101 1.00 0.00 N ATOM 1062 CA ALA A 204 0.614 -10.913 -7.611 1.00 0.00 C ATOM 1063 C ALA A 204 -0.840 -10.464 -7.566 1.00 0.00 C ATOM 1064 O ALA A 204 -1.644 -10.843 -8.416 1.00 0.00 O ATOM 1065 CB ALA A 204 0.801 -12.194 -6.815 1.00 0.00 C ATOM 0 H ALA A 204 1.879 -10.054 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 204 0.883 -11.111 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 204 0.143 -12.967 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.837 -12.524 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.558 -12.011 -5.768 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.168 -9.656 -6.564 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.497 -9.066 -6.454 1.00 0.00 C ATOM 1073 C LEU A 205 -2.716 -8.060 -7.576 1.00 0.00 C ATOM 1074 O LEU A 205 -3.782 -8.013 -8.191 1.00 0.00 O ATOM 1075 CB LEU A 205 -2.665 -8.376 -5.099 1.00 0.00 C ATOM 1076 CG LEU A 205 -2.736 -9.311 -3.892 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.304 -8.580 -2.634 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.147 -9.851 -3.720 1.00 0.00 C ATOM 0 H LEU A 205 -0.529 -9.394 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.237 -9.862 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -1.832 -7.687 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.574 -7.776 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.059 -10.148 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.359 -9.258 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.279 -8.228 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -2.963 -7.728 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.180 -10.515 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -4.838 -9.022 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -4.436 -10.404 -4.614 1.00 0.00 H new ATOM 1090 N GLY A 206 -1.689 -7.260 -7.837 1.00 0.00 N ATOM 1091 CA GLY A 206 -1.744 -6.302 -8.920 1.00 0.00 C ATOM 1092 C GLY A 206 -2.245 -4.943 -8.472 1.00 0.00 C ATOM 1093 O GLY A 206 -2.606 -4.763 -7.306 1.00 0.00 O ATOM 0 H GLY A 206 -0.814 -7.260 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -0.750 -6.193 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.396 -6.684 -9.706 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.281 -3.961 -9.389 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.715 -2.598 -9.080 1.00 0.00 C ATOM 1099 C PRO A 207 -4.236 -2.454 -9.054 1.00 0.00 C ATOM 1100 O PRO A 207 -4.761 -1.385 -8.740 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.116 -1.786 -10.224 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.073 -2.727 -11.381 1.00 0.00 C ATOM 1103 CD PRO A 207 -1.887 -4.108 -10.805 1.00 0.00 C ATOM 0 HA PRO A 207 -2.394 -2.278 -8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -2.726 -0.911 -10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.119 -1.424 -9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.994 -2.670 -11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.255 -2.475 -12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.509 -4.842 -11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -0.854 -4.444 -10.899 1.00 0.00 H new ATOM 1111 N ALA A 208 -4.936 -3.532 -9.385 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.392 -3.531 -9.369 1.00 0.00 C ATOM 1113 C ALA A 208 -6.909 -4.080 -8.045 1.00 0.00 C ATOM 1114 O ALA A 208 -8.107 -4.305 -7.872 1.00 0.00 O ATOM 1115 CB ALA A 208 -6.935 -4.340 -10.540 1.00 0.00 C ATOM 0 H ALA A 208 -4.518 -4.418 -9.668 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.742 -2.504 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.025 -4.330 -10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.590 -3.902 -11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.580 -5.368 -10.468 1.00 0.00 H new ATOM 1121 N ALA A 209 -5.991 -4.301 -7.117 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.341 -4.776 -5.793 1.00 0.00 C ATOM 1123 C ALA A 209 -6.280 -3.623 -4.798 1.00 0.00 C ATOM 1124 O ALA A 209 -5.480 -2.698 -4.953 1.00 0.00 O ATOM 1125 CB ALA A 209 -5.412 -5.904 -5.380 1.00 0.00 C ATOM 0 H ALA A 209 -4.992 -4.157 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.359 -5.165 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -5.684 -6.253 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -5.501 -6.727 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -4.384 -5.543 -5.370 1.00 0.00 H new ATOM 1131 N THR A 210 -7.124 -3.681 -3.781 1.00 0.00 N ATOM 1132 CA THR A 210 -7.288 -2.567 -2.857 1.00 0.00 C ATOM 1133 C THR A 210 -6.386 -2.689 -1.630 1.00 0.00 C ATOM 1134 O THR A 210 -5.708 -3.703 -1.453 1.00 0.00 O ATOM 1135 CB THR A 210 -8.752 -2.443 -2.408 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.206 -3.688 -1.858 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.639 -2.056 -3.575 1.00 0.00 C ATOM 0 H THR A 210 -7.709 -4.490 -3.573 1.00 0.00 H new ATOM 0 HA THR A 210 -6.994 -1.668 -3.399 1.00 0.00 H new ATOM 0 HB THR A 210 -8.810 -1.665 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.432 -4.304 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.672 -1.974 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.312 -1.098 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.572 -2.818 -4.351 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.390 -1.664 -0.778 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.522 -1.641 0.398 1.00 0.00 C ATOM 1147 C LEU A 211 -5.839 -2.802 1.334 1.00 0.00 C ATOM 1148 O LEU A 211 -4.937 -3.454 1.859 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.668 -0.316 1.151 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.718 -0.133 2.336 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.275 -0.030 1.865 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -5.110 1.094 3.140 1.00 0.00 C ATOM 0 H LEU A 211 -6.983 -0.841 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.493 -1.742 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.509 0.502 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.693 -0.232 1.511 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.798 -1.009 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.620 0.100 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -3.000 -0.941 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -3.170 0.825 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.426 1.212 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -5.059 1.977 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.127 0.974 3.514 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.123 -3.072 1.525 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.545 -4.146 2.410 1.00 0.00 C ATOM 1166 C GLU A 212 -7.126 -5.509 1.860 1.00 0.00 C ATOM 1167 O GLU A 212 -6.822 -6.423 2.626 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.056 -4.088 2.652 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.896 -4.172 1.390 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.366 -3.941 1.668 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.858 -2.827 1.395 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -12.034 -4.866 2.173 1.00 0.00 O ATOM 0 H GLU A 212 -7.887 -2.564 1.080 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.045 -4.009 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.337 -4.905 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.293 -3.159 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.543 -3.433 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.764 -5.152 0.932 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.087 -5.639 0.534 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.612 -6.867 -0.092 1.00 0.00 C ATOM 1182 C GLU A 213 -5.115 -7.045 0.143 1.00 0.00 C ATOM 1183 O GLU A 213 -4.634 -8.168 0.301 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.927 -6.862 -1.587 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.409 -7.001 -1.879 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.744 -6.777 -3.337 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.987 -5.612 -3.710 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -8.776 -7.759 -4.108 1.00 0.00 O ATOM 0 H GLU A 213 -7.377 -4.913 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.131 -7.710 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.561 -5.935 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.389 -7.678 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.741 -7.996 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.963 -6.287 -1.270 1.00 0.00 H new ATOM 1196 N MET A 214 -4.386 -5.931 0.179 1.00 0.00 N ATOM 1197 CA MET A 214 -2.957 -5.960 0.498 1.00 0.00 C ATOM 1198 C MET A 214 -2.760 -6.585 1.876 1.00 0.00 C ATOM 1199 O MET A 214 -1.977 -7.521 2.056 1.00 0.00 O ATOM 1200 CB MET A 214 -2.357 -4.547 0.521 1.00 0.00 C ATOM 1201 CG MET A 214 -2.588 -3.707 -0.728 1.00 0.00 C ATOM 1202 SD MET A 214 -1.764 -4.347 -2.197 1.00 0.00 S ATOM 1203 CE MET A 214 -3.113 -5.236 -2.963 1.00 0.00 C ATOM 0 H MET A 214 -4.758 -5.000 -0.008 1.00 0.00 H new ATOM 0 HA MET A 214 -2.455 -6.544 -0.273 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.769 -4.012 1.377 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.283 -4.632 0.685 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.659 -3.646 -0.921 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.240 -2.691 -0.541 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.724 -5.878 -3.753 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.617 -5.847 -2.215 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.822 -4.526 -3.389 1.00 0.00 H new ATOM 1213 N MET A 215 -3.507 -6.055 2.842 1.00 0.00 N ATOM 1214 CA MET A 215 -3.432 -6.500 4.229 1.00 0.00 C ATOM 1215 C MET A 215 -3.861 -7.957 4.360 1.00 0.00 C ATOM 1216 O MET A 215 -3.248 -8.731 5.097 1.00 0.00 O ATOM 1217 CB MET A 215 -4.327 -5.627 5.110 1.00 0.00 C ATOM 1218 CG MET A 215 -3.986 -4.150 5.053 1.00 0.00 C ATOM 1219 SD MET A 215 -5.139 -3.145 6.005 1.00 0.00 S ATOM 1220 CE MET A 215 -3.994 -2.224 7.026 1.00 0.00 C ATOM 0 H MET A 215 -4.181 -5.305 2.684 1.00 0.00 H new ATOM 0 HA MET A 215 -2.396 -6.410 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.365 -5.763 4.806 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.250 -5.969 6.142 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.976 -3.998 5.433 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.990 -3.818 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.480 -1.319 7.392 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.686 -2.838 7.872 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.118 -1.952 6.437 1.00 0.00 H new ATOM 1230 N THR A 216 -4.915 -8.316 3.638 1.00 0.00 N ATOM 1231 CA THR A 216 -5.462 -9.667 3.675 1.00 0.00 C ATOM 1232 C THR A 216 -4.462 -10.686 3.130 1.00 0.00 C ATOM 1233 O THR A 216 -4.390 -11.816 3.607 1.00 0.00 O ATOM 1234 CB THR A 216 -6.780 -9.741 2.870 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.728 -8.812 3.415 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.371 -11.145 2.888 1.00 0.00 C ATOM 0 H THR A 216 -5.413 -7.682 3.013 1.00 0.00 H new ATOM 0 HA THR A 216 -5.667 -9.912 4.717 1.00 0.00 H new ATOM 0 HB THR A 216 -6.557 -9.484 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.615 -7.939 2.985 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.296 -11.158 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.660 -11.845 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.580 -11.439 3.917 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.682 -10.286 2.142 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.674 -11.169 1.582 1.00 0.00 C ATOM 1246 C ALA A 217 -1.560 -11.426 2.589 1.00 0.00 C ATOM 1247 O ALA A 217 -1.176 -12.570 2.838 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.112 -10.576 0.307 1.00 0.00 C ATOM 0 H ALA A 217 -3.726 -9.362 1.713 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.143 -12.124 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.357 -11.246 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -2.915 -10.445 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.659 -9.609 0.525 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.069 -10.360 3.199 1.00 0.00 N ATOM 1255 CA CYS A 218 0.040 -10.465 4.134 1.00 0.00 C ATOM 1256 C CYS A 218 -0.427 -10.995 5.492 1.00 0.00 C ATOM 1257 O CYS A 218 0.379 -11.197 6.397 1.00 0.00 O ATOM 1258 CB CYS A 218 0.725 -9.105 4.295 1.00 0.00 C ATOM 1259 SG CYS A 218 2.237 -9.139 5.290 1.00 0.00 S ATOM 0 H CYS A 218 -1.420 -9.412 3.064 1.00 0.00 H new ATOM 0 HA CYS A 218 0.759 -11.177 3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.965 -8.714 3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.021 -8.409 4.751 1.00 0.00 H new ATOM 0 HG CYS A 218 2.124 -10.040 6.220 1.00 0.00 H new ATOM 1472 N THR B 2 -2.993 3.787 -2.426 1.00 0.00 N ATOM 1473 CA THR B 2 -2.425 5.115 -2.468 1.00 0.00 C ATOM 1474 C THR B 2 -2.735 5.817 -1.146 1.00 0.00 C ATOM 1475 O THR B 2 -3.437 5.249 -0.302 1.00 0.00 O ATOM 1476 CB THR B 2 -2.966 5.941 -3.663 1.00 0.00 C ATOM 1477 OG1 THR B 2 -4.015 6.820 -3.239 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.515 5.037 -4.751 1.00 0.00 C ATOM 0 HA THR B 2 -1.347 5.032 -2.608 1.00 0.00 H new ATOM 0 HB THR B 2 -2.130 6.519 -4.056 1.00 0.00 H new ATOM 0 HG1 THR B 2 -4.342 7.333 -4.007 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.887 5.645 -5.576 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.723 4.381 -5.112 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.329 4.435 -4.348 1.00 0.00 H new ATOM 1486 N PHE B 3 -2.227 7.025 -0.949 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.495 7.763 0.279 1.00 0.00 C ATOM 1488 C PHE B 3 -3.989 8.060 0.393 1.00 0.00 C ATOM 1489 O PHE B 3 -4.547 8.085 1.493 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.684 9.060 0.310 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.682 9.733 1.653 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.256 9.047 2.778 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -2.093 11.049 1.789 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.240 9.656 4.014 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.080 11.665 3.027 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.653 10.967 4.141 1.00 0.00 C ATOM 0 H PHE B 3 -1.631 7.513 -1.618 1.00 0.00 H new ATOM 0 HA PHE B 3 -2.194 7.153 1.131 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.656 8.844 0.019 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -2.087 9.749 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -0.932 8.021 2.685 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.426 11.598 0.921 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -0.905 9.108 4.882 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.403 12.691 3.123 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.643 11.446 5.109 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.441 6.157 -0.512 1.00 0.00 N ATOM 1527 CA ASP B 5 -7.033 4.965 0.096 1.00 0.00 C ATOM 1528 C ASP B 5 -6.761 4.941 1.589 1.00 0.00 C ATOM 1529 O ASP B 5 -7.645 4.642 2.384 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.460 3.680 -0.507 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.661 3.561 -1.996 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -5.660 3.687 -2.727 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.792 3.284 -2.431 1.00 0.00 O ATOM 0 HA ASP B 5 -8.104 5.010 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -5.393 3.633 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -6.923 2.823 -0.018 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.519 5.249 1.951 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.078 5.209 3.340 1.00 0.00 C ATOM 1541 C LEU B 6 -5.927 6.111 4.225 1.00 0.00 C ATOM 1542 O LEU B 6 -6.396 5.693 5.287 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.612 5.630 3.444 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.663 4.526 3.889 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.215 3.855 5.132 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.448 3.514 2.775 1.00 0.00 C ATOM 0 H LEU B 6 -4.793 5.532 1.292 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.191 4.182 3.688 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.285 6.002 2.473 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.536 6.461 4.146 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.693 4.965 4.124 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.536 3.064 5.451 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.314 4.592 5.929 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.192 3.426 4.910 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.766 2.735 3.117 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.403 3.066 2.501 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.020 4.014 1.906 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.109 7.346 3.783 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.908 8.311 4.521 1.00 0.00 C ATOM 1560 C LEU B 7 -8.321 7.794 4.736 1.00 0.00 C ATOM 1561 O LEU B 7 -8.781 7.690 5.869 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.953 9.657 3.785 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.681 10.495 3.896 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.700 11.626 2.885 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.543 11.058 5.304 1.00 0.00 C ATOM 0 H LEU B 7 -5.713 7.704 2.914 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.437 8.457 5.493 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.157 9.471 2.731 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.789 10.239 4.173 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.826 9.853 3.686 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.786 12.213 2.978 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.765 11.213 1.878 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.563 12.266 3.071 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.632 11.653 5.370 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.404 11.686 5.531 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.493 10.238 6.020 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.468 4.931 4.456 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.488 3.651 5.149 1.00 0.00 C ATOM 1599 C TYR B 9 -9.670 3.867 6.647 1.00 0.00 C ATOM 1600 O TYR B 9 -10.615 3.356 7.250 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.188 2.888 4.874 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.113 1.524 5.529 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -8.670 0.406 4.919 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.479 1.357 6.755 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -8.599 -0.839 5.513 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.404 0.115 7.356 1.00 0.00 C ATOM 1607 CZ TYR B 9 -7.967 -0.980 6.731 1.00 0.00 C ATOM 1608 OH TYR B 9 -7.892 -2.221 7.324 1.00 0.00 O ATOM 0 HA TYR B 9 -10.326 3.061 4.780 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.073 2.767 3.797 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.348 3.490 5.219 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.166 0.513 3.966 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -7.038 2.212 7.246 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.036 -1.698 5.026 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.908 0.001 8.309 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.077 -2.677 7.027 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.762 4.632 7.238 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.845 4.958 8.655 1.00 0.00 C ATOM 1620 C TYR B 10 -9.954 5.971 8.927 1.00 0.00 C ATOM 1621 O TYR B 10 -10.822 5.751 9.772 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.500 5.484 9.164 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.428 4.419 9.247 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.401 3.524 10.310 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.444 4.307 8.272 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.428 2.548 10.399 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.467 3.334 8.355 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.463 2.458 9.421 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.491 1.488 9.509 1.00 0.00 O ATOM 0 H TYR B 10 -7.959 5.038 6.758 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.089 4.043 9.195 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.158 6.282 8.505 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.641 5.924 10.151 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.155 3.593 11.080 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.443 4.991 7.436 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.424 1.859 11.231 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.710 3.259 7.589 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.539 0.904 8.723 1.00 0.00 H new