USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 23 ASN :FLIP amide:sc= 0 X(o=0.4,f=0.85) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.846 X(o=0.85,f=0.4) USER MOD Single : A 17 GLN : amide:sc=-0.00427 K(o=-0.0043,f=-0.83) USER MOD Single : A 18 ASN : amide:sc= -0.0816 K(o=-0.082,f=-2.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=-0.00401 USER MOD Single : A 42 GLN : amide:sc= -2.35 K(o=-2.4,f=-4!) USER MOD Single : A 44 THR OG1 : rot 5:sc= 1.29 USER MOD Single : A 48 THR OG1 : rot -174:sc= -1.97! USER MOD Single : A 49 SER OG : rot -81:sc= 0.0346 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.509 K(o=-0.51,f=-5.4!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 69 MET CE :methyl -118:sc= -0.4 (180deg=-3.89!) USER MOD Single : B 81 GLN :FLIP amide:sc= -0.691 F(o=-1.3,f=-0.69) USER MOD Single : B 84 MET CE :methyl 135:sc=-0.00325 (180deg=-0.628) USER MOD Single : B 85 GLN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : B 86 HIS : no HD1:sc= 0.174 K(o=0.17,f=-4.8!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= 0.569 F(o=-1.8!,f=0.57) USER MOD Single : B 93 GLN : amide:sc= -0.574! X(o=-0.57!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.414 10.220 -2.684 1.00 0.00 N ATOM 169 CA VAL A 12 -0.540 9.382 -1.489 1.00 0.00 C ATOM 170 C VAL A 12 0.815 9.057 -0.831 1.00 0.00 C ATOM 171 O VAL A 12 0.881 8.272 0.118 1.00 0.00 O ATOM 172 CB VAL A 12 -1.346 8.091 -1.791 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.464 6.957 -2.289 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.152 7.674 -0.576 1.00 0.00 C ATOM 0 HA VAL A 12 -1.097 9.970 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.036 8.320 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.078 6.078 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.037 7.262 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.282 6.717 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.712 6.767 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.479 7.484 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.846 8.471 -0.309 1.00 0.00 H new ATOM 184 N GLY A 13 1.878 9.709 -1.288 1.00 0.00 N ATOM 185 CA GLY A 13 3.201 9.441 -0.750 1.00 0.00 C ATOM 186 C GLY A 13 3.873 8.287 -1.464 1.00 0.00 C ATOM 187 O GLY A 13 4.821 7.691 -0.953 1.00 0.00 O ATOM 0 H GLY A 13 1.849 10.418 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.819 10.334 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.122 9.215 0.313 1.00 0.00 H new ATOM 191 N TRP A 14 3.371 7.971 -2.648 1.00 0.00 N ATOM 192 CA TRP A 14 3.894 6.865 -3.435 1.00 0.00 C ATOM 193 C TRP A 14 4.720 7.366 -4.617 1.00 0.00 C ATOM 194 O TRP A 14 4.326 8.302 -5.317 1.00 0.00 O ATOM 195 CB TRP A 14 2.744 5.984 -3.936 1.00 0.00 C ATOM 196 CG TRP A 14 3.166 4.960 -4.941 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.801 3.782 -4.689 1.00 0.00 C ATOM 198 CD2 TRP A 14 2.995 5.031 -6.361 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.037 3.112 -5.864 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.548 3.859 -6.905 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.424 5.971 -7.224 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.550 3.604 -8.274 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.426 5.717 -8.583 1.00 0.00 C ATOM 204 CH2 TRP A 14 2.983 4.541 -9.096 1.00 0.00 C ATOM 0 H TRP A 14 2.597 8.469 -3.087 1.00 0.00 H new ATOM 0 HA TRP A 14 4.547 6.275 -2.792 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.288 5.479 -3.085 1.00 0.00 H new ATOM 0 HB3 TRP A 14 1.977 6.620 -4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.079 3.426 -3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.500 2.207 -5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.989 6.880 -6.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.984 2.699 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.991 6.438 -9.259 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.966 4.368 -10.162 1.00 0.00 H new ATOM 215 N ASP A 15 5.865 6.737 -4.822 1.00 0.00 N ATOM 216 CA ASP A 15 6.703 6.992 -5.986 1.00 0.00 C ATOM 217 C ASP A 15 6.807 5.716 -6.809 1.00 0.00 C ATOM 218 O ASP A 15 6.990 4.631 -6.263 1.00 0.00 O ATOM 219 CB ASP A 15 8.099 7.447 -5.546 1.00 0.00 C ATOM 220 CG ASP A 15 9.024 7.725 -6.716 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.556 6.757 -7.296 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.222 8.909 -7.063 1.00 0.00 O ATOM 0 H ASP A 15 6.242 6.034 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 15 6.257 7.783 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.008 8.348 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.543 6.679 -4.912 1.00 0.00 H new ATOM 227 N PRO A 16 6.672 5.838 -8.141 1.00 0.00 N ATOM 228 CA PRO A 16 6.651 4.693 -9.066 1.00 0.00 C ATOM 229 C PRO A 16 7.853 3.758 -8.923 1.00 0.00 C ATOM 230 O PRO A 16 7.747 2.564 -9.209 1.00 0.00 O ATOM 231 CB PRO A 16 6.648 5.343 -10.458 1.00 0.00 C ATOM 232 CG PRO A 16 7.014 6.771 -10.235 1.00 0.00 C ATOM 233 CD PRO A 16 6.519 7.110 -8.862 1.00 0.00 C ATOM 0 HA PRO A 16 5.789 4.056 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.362 4.854 -11.120 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.668 5.258 -10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.092 6.914 -10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.555 7.414 -10.986 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.105 7.907 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.482 7.445 -8.877 1.00 0.00 H new ATOM 241 N GLN A 17 8.993 4.304 -8.521 1.00 0.00 N ATOM 242 CA GLN A 17 10.198 3.504 -8.332 1.00 0.00 C ATOM 243 C GLN A 17 10.512 3.299 -6.853 1.00 0.00 C ATOM 244 O GLN A 17 10.887 2.203 -6.437 1.00 0.00 O ATOM 245 CB GLN A 17 11.386 4.154 -9.031 1.00 0.00 C ATOM 246 CG GLN A 17 11.247 4.206 -10.543 1.00 0.00 C ATOM 247 CD GLN A 17 12.356 4.998 -11.203 1.00 0.00 C ATOM 248 OE1 GLN A 17 12.881 5.954 -10.632 1.00 0.00 O ATOM 249 NE2 GLN A 17 12.725 4.603 -12.410 1.00 0.00 N ATOM 0 H GLN A 17 9.110 5.297 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 17 10.013 2.526 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.511 5.168 -8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.292 3.604 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.246 3.191 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.285 4.650 -10.801 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.264 3.806 -12.849 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.470 5.096 -12.902 1.00 0.00 H new ATOM 258 N ASN A 18 10.366 4.359 -6.068 1.00 0.00 N ATOM 259 CA ASN A 18 10.750 4.325 -4.654 1.00 0.00 C ATOM 260 C ASN A 18 9.722 3.582 -3.809 1.00 0.00 C ATOM 261 O ASN A 18 10.050 3.040 -2.753 1.00 0.00 O ATOM 262 CB ASN A 18 10.928 5.742 -4.094 1.00 0.00 C ATOM 263 CG ASN A 18 12.070 6.515 -4.730 1.00 0.00 C ATOM 264 OD1 ASN A 18 12.390 6.340 -5.905 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.690 7.391 -3.953 1.00 0.00 N ATOM 0 H ASN A 18 9.986 5.252 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 18 11.700 3.793 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.001 6.298 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.099 5.679 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.460 7.947 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.397 7.509 -2.983 1.00 0.00 H new ATOM 272 N GLY A 19 8.481 3.569 -4.269 1.00 0.00 N ATOM 273 CA GLY A 19 7.420 2.936 -3.522 1.00 0.00 C ATOM 274 C GLY A 19 6.724 3.912 -2.598 1.00 0.00 C ATOM 275 O GLY A 19 6.765 5.122 -2.823 1.00 0.00 O ATOM 0 H GLY A 19 8.190 3.989 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.694 2.509 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.828 2.111 -2.938 1.00 0.00 H new ATOM 279 N PHE A 20 6.080 3.393 -1.566 1.00 0.00 N ATOM 280 CA PHE A 20 5.466 4.240 -0.553 1.00 0.00 C ATOM 281 C PHE A 20 6.543 4.767 0.378 1.00 0.00 C ATOM 282 O PHE A 20 7.277 3.987 0.985 1.00 0.00 O ATOM 283 CB PHE A 20 4.420 3.476 0.266 1.00 0.00 C ATOM 284 CG PHE A 20 3.114 3.250 -0.442 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.942 2.160 -1.278 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.048 4.122 -0.255 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.735 1.943 -1.915 1.00 0.00 C ATOM 288 CE2 PHE A 20 0.843 3.910 -0.892 1.00 0.00 C ATOM 289 CZ PHE A 20 0.684 2.819 -1.723 1.00 0.00 C ATOM 0 H PHE A 20 5.968 2.392 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 20 4.962 5.063 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.836 2.510 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.228 4.025 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.760 1.472 -1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.164 4.975 0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.613 1.088 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.024 4.597 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.259 2.651 -2.222 1.00 0.00 H new ATOM 299 N ASP A 21 6.649 6.081 0.478 1.00 0.00 N ATOM 300 CA ASP A 21 7.625 6.686 1.370 1.00 0.00 C ATOM 301 C ASP A 21 7.232 6.414 2.813 1.00 0.00 C ATOM 302 O ASP A 21 6.289 7.009 3.336 1.00 0.00 O ATOM 303 CB ASP A 21 7.733 8.192 1.127 1.00 0.00 C ATOM 304 CG ASP A 21 8.818 8.827 1.968 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.544 9.199 3.125 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.952 8.964 1.475 1.00 0.00 O ATOM 0 H ASP A 21 6.077 6.746 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 21 8.601 6.243 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.939 8.375 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.777 8.665 1.352 1.00 0.00 H new ATOM 311 N VAL A 22 7.958 5.506 3.447 1.00 0.00 N ATOM 312 CA VAL A 22 7.608 5.024 4.777 1.00 0.00 C ATOM 313 C VAL A 22 7.797 6.091 5.853 1.00 0.00 C ATOM 314 O VAL A 22 7.338 5.928 6.983 1.00 0.00 O ATOM 315 CB VAL A 22 8.402 3.756 5.143 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.952 2.593 4.277 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.899 3.976 4.988 1.00 0.00 C ATOM 0 H VAL A 22 8.801 5.084 3.058 1.00 0.00 H new ATOM 0 HA VAL A 22 6.547 4.775 4.741 1.00 0.00 H new ATOM 0 HB VAL A 22 8.204 3.524 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.519 1.701 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.890 2.409 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.124 2.833 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.430 3.062 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.123 4.238 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.218 4.785 5.645 1.00 0.00 H new ATOM 327 N ASN A 23 8.455 7.183 5.497 1.00 0.00 N ATOM 328 CA ASN A 23 8.627 8.305 6.412 1.00 0.00 C ATOM 329 C ASN A 23 7.387 9.195 6.394 1.00 0.00 C ATOM 330 O ASN A 23 6.924 9.671 7.433 1.00 0.00 O ATOM 331 CB ASN A 23 9.874 9.111 6.026 1.00 0.00 C ATOM 332 CG ASN A 23 9.982 10.436 6.761 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.500 11.500 6.137 1.00 0.00 O flip ATOM 334 ND2 ASN A 23 10.509 10.504 7.869 1.00 0.00 N flip ATOM 0 H ASN A 23 8.880 7.318 4.580 1.00 0.00 H new ATOM 0 HA ASN A 23 8.760 7.920 7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.763 8.515 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.859 9.299 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.868 9.660 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.588 11.404 8.342 1.00 0.00 H new ATOM 341 N ASN A 24 6.835 9.393 5.207 1.00 0.00 N ATOM 342 CA ASN A 24 5.677 10.259 5.025 1.00 0.00 C ATOM 343 C ASN A 24 4.375 9.462 5.010 1.00 0.00 C ATOM 344 O ASN A 24 3.340 9.969 4.580 1.00 0.00 O ATOM 345 CB ASN A 24 5.803 11.054 3.721 1.00 0.00 C ATOM 346 CG ASN A 24 6.877 12.128 3.775 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.606 13.275 4.122 1.00 0.00 O ATOM 348 ND2 ASN A 24 8.103 11.769 3.433 1.00 0.00 N ATOM 0 H ASN A 24 7.173 8.962 4.347 1.00 0.00 H new ATOM 0 HA ASN A 24 5.649 10.946 5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.026 10.367 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.844 11.519 3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.859 12.453 3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.293 10.808 3.150 1.00 0.00 H new ATOM 355 N LEU A 25 4.426 8.220 5.481 1.00 0.00 N ATOM 356 CA LEU A 25 3.237 7.374 5.514 1.00 0.00 C ATOM 357 C LEU A 25 2.197 7.914 6.484 1.00 0.00 C ATOM 358 O LEU A 25 2.483 8.137 7.663 1.00 0.00 O ATOM 359 CB LEU A 25 3.587 5.937 5.908 1.00 0.00 C ATOM 360 CG LEU A 25 4.164 5.071 4.792 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.498 3.684 5.316 1.00 0.00 C ATOM 362 CD2 LEU A 25 3.188 4.967 3.634 1.00 0.00 C ATOM 0 H LEU A 25 5.271 7.779 5.843 1.00 0.00 H new ATOM 0 HA LEU A 25 2.822 7.379 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.305 5.968 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.688 5.454 6.290 1.00 0.00 H new ATOM 0 HG LEU A 25 5.079 5.543 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.908 3.079 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.232 3.765 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.593 3.212 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.619 4.345 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.257 4.519 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.986 5.962 3.238 1.00 0.00 H new ATOM 374 N ASP A 26 0.999 8.136 5.967 1.00 0.00 N ATOM 375 CA ASP A 26 -0.146 8.493 6.789 1.00 0.00 C ATOM 376 C ASP A 26 -0.479 7.324 7.710 1.00 0.00 C ATOM 377 O ASP A 26 -0.564 6.181 7.262 1.00 0.00 O ATOM 378 CB ASP A 26 -1.344 8.822 5.888 1.00 0.00 C ATOM 379 CG ASP A 26 -2.573 9.271 6.660 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.099 8.476 7.463 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.037 10.409 6.438 1.00 0.00 O ATOM 0 H ASP A 26 0.793 8.074 4.970 1.00 0.00 H new ATOM 0 HA ASP A 26 0.087 9.370 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.058 9.606 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.597 7.942 5.296 1.00 0.00 H new ATOM 386 N PRO A 27 -0.635 7.607 9.016 1.00 0.00 N ATOM 387 CA PRO A 27 -0.916 6.592 10.046 1.00 0.00 C ATOM 388 C PRO A 27 -2.103 5.687 9.711 1.00 0.00 C ATOM 389 O PRO A 27 -2.134 4.525 10.118 1.00 0.00 O ATOM 390 CB PRO A 27 -1.230 7.427 11.289 1.00 0.00 C ATOM 391 CG PRO A 27 -0.494 8.702 11.081 1.00 0.00 C ATOM 392 CD PRO A 27 -0.524 8.959 9.599 1.00 0.00 C ATOM 0 HA PRO A 27 -0.075 5.908 10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.301 7.600 11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.901 6.923 12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.965 9.518 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.531 8.625 11.443 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.369 9.588 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.379 9.468 9.262 1.00 0.00 H new ATOM 400 N ASP A 28 -3.068 6.217 8.969 1.00 0.00 N ATOM 401 CA ASP A 28 -4.258 5.459 8.594 1.00 0.00 C ATOM 402 C ASP A 28 -3.928 4.490 7.463 1.00 0.00 C ATOM 403 O ASP A 28 -4.349 3.332 7.479 1.00 0.00 O ATOM 404 CB ASP A 28 -5.385 6.420 8.194 1.00 0.00 C ATOM 405 CG ASP A 28 -6.668 5.715 7.793 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.184 4.919 8.608 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.133 5.913 6.651 1.00 0.00 O ATOM 0 H ASP A 28 -3.050 7.173 8.613 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.598 4.874 9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.593 7.090 9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.046 7.040 7.364 1.00 0.00 H new ATOM 412 N LEU A 29 -3.140 4.958 6.496 1.00 0.00 N ATOM 413 CA LEU A 29 -2.630 4.090 5.444 1.00 0.00 C ATOM 414 C LEU A 29 -1.728 3.027 6.047 1.00 0.00 C ATOM 415 O LEU A 29 -1.850 1.841 5.743 1.00 0.00 O ATOM 416 CB LEU A 29 -1.824 4.889 4.426 1.00 0.00 C ATOM 417 CG LEU A 29 -2.595 5.930 3.625 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.625 6.721 2.766 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.662 5.267 2.760 1.00 0.00 C ATOM 0 H LEU A 29 -2.843 5.931 6.422 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.482 3.626 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.012 5.393 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.366 4.190 3.727 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.100 6.607 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.173 7.467 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.896 7.219 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.108 6.045 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.200 6.030 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.188 4.571 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.362 4.725 3.397 1.00 0.00 H new ATOM 431 N ARG A 30 -0.821 3.477 6.909 1.00 0.00 N ATOM 432 CA ARG A 30 0.107 2.593 7.593 1.00 0.00 C ATOM 433 C ARG A 30 -0.663 1.526 8.365 1.00 0.00 C ATOM 434 O ARG A 30 -0.261 0.364 8.397 1.00 0.00 O ATOM 435 CB ARG A 30 1.013 3.417 8.525 1.00 0.00 C ATOM 436 CG ARG A 30 2.070 2.619 9.280 1.00 0.00 C ATOM 437 CD ARG A 30 1.511 2.020 10.562 1.00 0.00 C ATOM 438 NE ARG A 30 2.557 1.477 11.420 1.00 0.00 N ATOM 439 CZ ARG A 30 2.479 1.443 12.748 1.00 0.00 C ATOM 440 NH1 ARG A 30 1.381 1.864 13.365 1.00 0.00 N ATOM 441 NH2 ARG A 30 3.500 0.981 13.457 1.00 0.00 N ATOM 0 H ARG A 30 -0.712 4.462 7.150 1.00 0.00 H new ATOM 0 HA ARG A 30 0.739 2.087 6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.514 4.183 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.385 3.934 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.450 1.822 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.914 3.266 9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.958 2.785 11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.802 1.230 10.313 1.00 0.00 H new ATOM 0 HE ARG A 30 3.396 1.102 10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.593 2.215 12.821 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.326 1.836 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.342 0.653 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.443 0.954 14.475 1.00 0.00 H new ATOM 455 N SER A 31 -1.779 1.931 8.969 1.00 0.00 N ATOM 456 CA SER A 31 -2.637 1.011 9.703 1.00 0.00 C ATOM 457 C SER A 31 -3.067 -0.136 8.800 1.00 0.00 C ATOM 458 O SER A 31 -2.969 -1.306 9.173 1.00 0.00 O ATOM 459 CB SER A 31 -3.880 1.741 10.222 1.00 0.00 C ATOM 460 OG SER A 31 -4.531 0.998 11.237 1.00 0.00 O ATOM 0 H SER A 31 -2.109 2.896 8.962 1.00 0.00 H new ATOM 0 HA SER A 31 -2.074 0.616 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.594 2.718 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.571 1.916 9.398 1.00 0.00 H new ATOM 0 HG SER A 31 -5.319 1.491 11.549 1.00 0.00 H new ATOM 466 N LEU A 32 -3.526 0.211 7.602 1.00 0.00 N ATOM 467 CA LEU A 32 -4.015 -0.774 6.654 1.00 0.00 C ATOM 468 C LEU A 32 -2.896 -1.666 6.164 1.00 0.00 C ATOM 469 O LEU A 32 -3.004 -2.887 6.198 1.00 0.00 O ATOM 470 CB LEU A 32 -4.659 -0.101 5.449 1.00 0.00 C ATOM 471 CG LEU A 32 -5.161 -1.080 4.393 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.203 -2.007 4.990 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.722 -0.348 3.190 1.00 0.00 C ATOM 0 H LEU A 32 -3.568 1.173 7.267 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.757 -1.376 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.494 0.511 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.935 0.573 4.991 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.315 -1.677 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.553 -2.701 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.762 -2.567 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.044 -1.420 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.072 -1.072 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.554 0.282 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.944 0.273 2.746 1.00 0.00 H new ATOM 485 N PHE A 33 -1.830 -1.045 5.695 1.00 0.00 N ATOM 486 CA PHE A 33 -0.731 -1.777 5.080 1.00 0.00 C ATOM 487 C PHE A 33 -0.113 -2.750 6.072 1.00 0.00 C ATOM 488 O PHE A 33 0.154 -3.904 5.739 1.00 0.00 O ATOM 489 CB PHE A 33 0.326 -0.812 4.538 1.00 0.00 C ATOM 490 CG PHE A 33 -0.220 0.209 3.567 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.360 -0.054 2.810 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.401 1.443 3.422 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.856 0.890 1.932 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.097 2.387 2.544 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.225 2.110 1.800 1.00 0.00 C ATOM 0 H PHE A 33 -1.699 -0.034 5.727 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.129 -2.350 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.792 -0.291 5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.110 -1.386 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.861 -1.006 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.284 1.667 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.738 0.673 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.397 3.342 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.614 2.848 1.114 1.00 0.00 H new ATOM 505 N SER A 34 0.064 -2.288 7.300 1.00 0.00 N ATOM 506 CA SER A 34 0.594 -3.122 8.364 1.00 0.00 C ATOM 507 C SER A 34 -0.386 -4.249 8.699 1.00 0.00 C ATOM 508 O SER A 34 0.020 -5.356 9.054 1.00 0.00 O ATOM 509 CB SER A 34 0.874 -2.262 9.597 1.00 0.00 C ATOM 510 OG SER A 34 1.379 -3.034 10.674 1.00 0.00 O ATOM 0 H SER A 34 -0.154 -1.333 7.584 1.00 0.00 H new ATOM 0 HA SER A 34 1.527 -3.577 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.591 -1.482 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.043 -1.762 9.907 1.00 0.00 H new ATOM 0 HG SER A 34 1.548 -2.451 11.444 1.00 0.00 H new ATOM 516 N ARG A 35 -1.679 -3.960 8.554 1.00 0.00 N ATOM 517 CA ARG A 35 -2.735 -4.925 8.832 1.00 0.00 C ATOM 518 C ARG A 35 -2.834 -5.934 7.693 1.00 0.00 C ATOM 519 O ARG A 35 -3.257 -7.076 7.881 1.00 0.00 O ATOM 520 CB ARG A 35 -4.062 -4.193 9.007 1.00 0.00 C ATOM 521 CG ARG A 35 -5.187 -5.105 9.416 1.00 0.00 C ATOM 522 CD ARG A 35 -6.524 -4.389 9.394 1.00 0.00 C ATOM 523 NE ARG A 35 -6.600 -3.321 10.387 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.744 -2.807 10.831 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.903 -3.212 10.329 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.724 -1.866 11.762 1.00 0.00 N ATOM 0 H ARG A 35 -2.020 -3.051 8.241 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.500 -5.462 9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.943 -3.412 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.324 -3.699 8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.222 -5.963 8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.997 -5.491 10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.693 -3.971 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.322 -5.109 9.577 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.727 -2.948 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.921 -3.922 9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.776 -2.813 10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.834 -1.538 12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.599 -1.469 12.105 1.00 0.00 H new ATOM 540 N ALA A 36 -2.423 -5.500 6.514 1.00 0.00 N ATOM 541 CA ALA A 36 -2.438 -6.338 5.329 1.00 0.00 C ATOM 542 C ALA A 36 -1.205 -7.240 5.284 1.00 0.00 C ATOM 543 O ALA A 36 -1.065 -8.079 4.393 1.00 0.00 O ATOM 544 CB ALA A 36 -2.516 -5.463 4.086 1.00 0.00 C ATOM 0 H ALA A 36 -2.070 -4.557 6.352 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.316 -6.983 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.527 -6.094 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.427 -4.865 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.650 -4.802 4.051 1.00 0.00 H new ATOM 550 N GLY A 37 -0.313 -7.059 6.251 1.00 0.00 N ATOM 551 CA GLY A 37 0.893 -7.866 6.325 1.00 0.00 C ATOM 552 C GLY A 37 2.052 -7.236 5.583 1.00 0.00 C ATOM 553 O GLY A 37 3.184 -7.714 5.656 1.00 0.00 O ATOM 0 H GLY A 37 -0.404 -6.363 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.168 -8.009 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.693 -8.854 5.910 1.00 0.00 H new ATOM 557 N ILE A 38 1.760 -6.163 4.870 1.00 0.00 N ATOM 558 CA ILE A 38 2.750 -5.453 4.086 1.00 0.00 C ATOM 559 C ILE A 38 3.646 -4.610 4.986 1.00 0.00 C ATOM 560 O ILE A 38 3.201 -3.624 5.581 1.00 0.00 O ATOM 561 CB ILE A 38 2.063 -4.542 3.053 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.950 -5.309 2.339 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.078 -4.023 2.051 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.060 -4.436 1.490 1.00 0.00 C ATOM 0 H ILE A 38 0.825 -5.759 4.819 1.00 0.00 H new ATOM 0 HA ILE A 38 3.361 -6.191 3.567 1.00 0.00 H new ATOM 0 HB ILE A 38 1.624 -3.689 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.397 -6.078 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.339 -5.821 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.578 -3.380 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.846 -3.452 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.540 -4.863 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.705 -5.050 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.416 -3.683 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.658 -3.944 0.723 1.00 0.00 H new ATOM 576 N SER A 39 4.903 -5.006 5.089 1.00 0.00 N ATOM 577 CA SER A 39 5.854 -4.298 5.926 1.00 0.00 C ATOM 578 C SER A 39 6.305 -3.002 5.259 1.00 0.00 C ATOM 579 O SER A 39 6.050 -2.792 4.071 1.00 0.00 O ATOM 580 CB SER A 39 7.061 -5.190 6.220 1.00 0.00 C ATOM 581 OG SER A 39 7.680 -5.620 5.017 1.00 0.00 O ATOM 0 H SER A 39 5.288 -5.815 4.602 1.00 0.00 H new ATOM 0 HA SER A 39 5.363 -4.045 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.782 -4.644 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.745 -6.057 6.800 1.00 0.00 H new ATOM 0 HG SER A 39 8.450 -6.187 5.230 1.00 0.00 H new ATOM 587 N GLU A 40 6.961 -2.138 6.022 1.00 0.00 N ATOM 588 CA GLU A 40 7.485 -0.884 5.488 1.00 0.00 C ATOM 589 C GLU A 40 8.357 -1.148 4.262 1.00 0.00 C ATOM 590 O GLU A 40 8.221 -0.487 3.230 1.00 0.00 O ATOM 591 CB GLU A 40 8.295 -0.133 6.551 1.00 0.00 C ATOM 592 CG GLU A 40 7.478 0.333 7.751 1.00 0.00 C ATOM 593 CD GLU A 40 7.137 -0.789 8.713 1.00 0.00 C ATOM 594 OE1 GLU A 40 7.957 -1.070 9.613 1.00 0.00 O ATOM 595 OE2 GLU A 40 6.051 -1.395 8.579 1.00 0.00 O ATOM 0 H GLU A 40 7.144 -2.281 7.015 1.00 0.00 H new ATOM 0 HA GLU A 40 6.638 -0.264 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.098 -0.780 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.764 0.735 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.035 1.104 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.555 0.793 7.398 1.00 0.00 H new ATOM 602 N ALA A 41 9.233 -2.140 4.377 1.00 0.00 N ATOM 603 CA ALA A 41 10.118 -2.512 3.284 1.00 0.00 C ATOM 604 C ALA A 41 9.315 -2.966 2.069 1.00 0.00 C ATOM 605 O ALA A 41 9.605 -2.578 0.936 1.00 0.00 O ATOM 606 CB ALA A 41 11.073 -3.610 3.729 1.00 0.00 C ATOM 0 H ALA A 41 9.348 -2.702 5.221 1.00 0.00 H new ATOM 0 HA ALA A 41 10.700 -1.635 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.729 -3.879 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.672 -3.253 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.502 -4.486 4.038 1.00 0.00 H new ATOM 612 N GLN A 42 8.286 -3.763 2.318 1.00 0.00 N ATOM 613 CA GLN A 42 7.453 -4.299 1.252 1.00 0.00 C ATOM 614 C GLN A 42 6.763 -3.163 0.494 1.00 0.00 C ATOM 615 O GLN A 42 6.548 -3.250 -0.713 1.00 0.00 O ATOM 616 CB GLN A 42 6.416 -5.259 1.837 1.00 0.00 C ATOM 617 CG GLN A 42 5.776 -6.177 0.815 1.00 0.00 C ATOM 618 CD GLN A 42 4.752 -7.105 1.436 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.856 -7.472 2.606 1.00 0.00 O ATOM 620 NE2 GLN A 42 3.756 -7.492 0.654 1.00 0.00 N ATOM 0 H GLN A 42 8.007 -4.054 3.255 1.00 0.00 H new ATOM 0 HA GLN A 42 8.083 -4.846 0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.892 -5.866 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.635 -4.678 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.297 -5.577 0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.550 -6.769 0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.708 -7.164 -0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.037 -8.118 1.016 1.00 0.00 H new ATOM 629 N LEU A 43 6.439 -2.083 1.204 1.00 0.00 N ATOM 630 CA LEU A 43 5.801 -0.925 0.579 1.00 0.00 C ATOM 631 C LEU A 43 6.767 -0.183 -0.336 1.00 0.00 C ATOM 632 O LEU A 43 6.345 0.619 -1.164 1.00 0.00 O ATOM 633 CB LEU A 43 5.271 0.063 1.620 1.00 0.00 C ATOM 634 CG LEU A 43 4.198 -0.470 2.566 1.00 0.00 C ATOM 635 CD1 LEU A 43 3.969 0.503 3.709 1.00 0.00 C ATOM 636 CD2 LEU A 43 2.901 -0.692 1.812 1.00 0.00 C ATOM 0 H LEU A 43 6.606 -1.986 2.205 1.00 0.00 H new ATOM 0 HA LEU A 43 4.968 -1.317 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.112 0.415 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.867 0.929 1.096 1.00 0.00 H new ATOM 0 HG LEU A 43 4.540 -1.420 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.201 0.108 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.897 0.636 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.644 1.464 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.143 -1.072 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.563 0.252 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.064 -1.415 1.013 1.00 0.00 H new ATOM 648 N THR A 44 8.059 -0.427 -0.177 1.00 0.00 N ATOM 649 CA THR A 44 9.047 0.240 -1.011 1.00 0.00 C ATOM 650 C THR A 44 9.497 -0.662 -2.159 1.00 0.00 C ATOM 651 O THR A 44 10.408 -0.319 -2.910 1.00 0.00 O ATOM 652 CB THR A 44 10.266 0.732 -0.195 1.00 0.00 C ATOM 653 OG1 THR A 44 10.843 -0.341 0.558 1.00 0.00 O ATOM 654 CG2 THR A 44 9.862 1.855 0.755 1.00 0.00 C ATOM 0 H THR A 44 8.444 -1.073 0.512 1.00 0.00 H new ATOM 0 HA THR A 44 8.561 1.120 -1.432 1.00 0.00 H new ATOM 0 HB THR A 44 11.005 1.109 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.392 -1.180 0.330 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.734 2.186 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.462 2.691 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.100 1.492 1.445 1.00 0.00 H new ATOM 662 N ASP A 45 8.861 -1.825 -2.285 1.00 0.00 N ATOM 663 CA ASP A 45 9.053 -2.667 -3.462 1.00 0.00 C ATOM 664 C ASP A 45 8.287 -2.088 -4.640 1.00 0.00 C ATOM 665 O ASP A 45 7.116 -1.731 -4.495 1.00 0.00 O ATOM 666 CB ASP A 45 8.593 -4.107 -3.218 1.00 0.00 C ATOM 667 CG ASP A 45 9.608 -4.938 -2.465 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.610 -5.369 -3.084 1.00 0.00 O ATOM 669 OD2 ASP A 45 9.411 -5.170 -1.260 1.00 0.00 O ATOM 0 H ASP A 45 8.214 -2.203 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 45 10.121 -2.687 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.658 -4.093 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.384 -4.582 -4.177 1.00 0.00 H new ATOM 674 N ALA A 46 8.943 -1.986 -5.789 1.00 0.00 N ATOM 675 CA ALA A 46 8.373 -1.305 -6.952 1.00 0.00 C ATOM 676 C ALA A 46 6.967 -1.799 -7.279 1.00 0.00 C ATOM 677 O ALA A 46 6.015 -1.017 -7.298 1.00 0.00 O ATOM 678 CB ALA A 46 9.280 -1.478 -8.158 1.00 0.00 C ATOM 0 H ALA A 46 9.876 -2.368 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 46 8.297 -0.247 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.845 -0.967 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.260 -1.053 -7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.387 -2.539 -8.383 1.00 0.00 H new ATOM 684 N GLU A 47 6.837 -3.101 -7.510 1.00 0.00 N ATOM 685 CA GLU A 47 5.557 -3.680 -7.890 1.00 0.00 C ATOM 686 C GLU A 47 4.572 -3.655 -6.732 1.00 0.00 C ATOM 687 O GLU A 47 3.413 -3.299 -6.916 1.00 0.00 O ATOM 688 CB GLU A 47 5.716 -5.112 -8.416 1.00 0.00 C ATOM 689 CG GLU A 47 6.570 -6.015 -7.539 1.00 0.00 C ATOM 690 CD GLU A 47 8.051 -5.842 -7.802 1.00 0.00 C ATOM 691 OE1 GLU A 47 8.573 -6.498 -8.722 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.697 -5.049 -7.090 1.00 0.00 O ATOM 0 H GLU A 47 7.601 -3.773 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 47 5.159 -3.064 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.727 -5.559 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.156 -5.073 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.362 -5.801 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.292 -7.054 -7.713 1.00 0.00 H new ATOM 699 N THR A 48 5.030 -4.033 -5.546 1.00 0.00 N ATOM 700 CA THR A 48 4.179 -4.032 -4.369 1.00 0.00 C ATOM 701 C THR A 48 3.523 -2.669 -4.160 1.00 0.00 C ATOM 702 O THR A 48 2.304 -2.570 -4.034 1.00 0.00 O ATOM 703 CB THR A 48 4.973 -4.403 -3.106 1.00 0.00 C ATOM 704 OG1 THR A 48 5.795 -5.551 -3.363 1.00 0.00 O ATOM 705 CG2 THR A 48 4.028 -4.692 -1.948 1.00 0.00 C ATOM 0 H THR A 48 5.986 -4.344 -5.376 1.00 0.00 H new ATOM 0 HA THR A 48 3.405 -4.780 -4.539 1.00 0.00 H new ATOM 0 HB THR A 48 5.609 -3.560 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.225 -5.838 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.607 -4.953 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.426 -3.807 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.373 -5.523 -2.211 1.00 0.00 H new ATOM 713 N SER A 49 4.334 -1.621 -4.152 1.00 0.00 N ATOM 714 CA SER A 49 3.839 -0.275 -3.925 1.00 0.00 C ATOM 715 C SER A 49 2.920 0.169 -5.054 1.00 0.00 C ATOM 716 O SER A 49 1.820 0.668 -4.813 1.00 0.00 O ATOM 717 CB SER A 49 5.011 0.690 -3.795 1.00 0.00 C ATOM 718 OG SER A 49 5.849 0.628 -4.933 1.00 0.00 O ATOM 0 H SER A 49 5.341 -1.680 -4.301 1.00 0.00 H new ATOM 0 HA SER A 49 3.263 -0.273 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.637 1.706 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.587 0.449 -2.901 1.00 0.00 H new ATOM 0 HG SER A 49 6.447 -0.144 -4.857 1.00 0.00 H new ATOM 724 N LYS A 50 3.379 -0.022 -6.286 1.00 0.00 N ATOM 725 CA LYS A 50 2.614 0.366 -7.460 1.00 0.00 C ATOM 726 C LYS A 50 1.257 -0.317 -7.466 1.00 0.00 C ATOM 727 O LYS A 50 0.254 0.285 -7.834 1.00 0.00 O ATOM 728 CB LYS A 50 3.391 0.011 -8.732 1.00 0.00 C ATOM 729 CG LYS A 50 2.676 0.396 -10.018 1.00 0.00 C ATOM 730 CD LYS A 50 3.517 0.089 -11.240 1.00 0.00 C ATOM 731 CE LYS A 50 4.682 1.044 -11.330 1.00 0.00 C ATOM 732 NZ LYS A 50 5.458 0.860 -12.581 1.00 0.00 N ATOM 0 H LYS A 50 4.283 -0.446 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 50 2.455 1.444 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.361 0.508 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.583 -1.062 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.730 -0.141 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.438 1.460 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.882 -0.937 -11.190 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.905 0.166 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.315 2.069 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.338 0.897 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.248 1.536 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.831 -0.110 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.840 1.025 -13.401 1.00 0.00 H new ATOM 746 N LEU A 51 1.227 -1.563 -7.028 1.00 0.00 N ATOM 747 CA LEU A 51 0.002 -2.335 -7.038 1.00 0.00 C ATOM 748 C LEU A 51 -0.843 -2.091 -5.791 1.00 0.00 C ATOM 749 O LEU A 51 -2.017 -2.444 -5.770 1.00 0.00 O ATOM 750 CB LEU A 51 0.314 -3.816 -7.233 1.00 0.00 C ATOM 751 CG LEU A 51 0.697 -4.179 -8.669 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.407 -5.515 -8.719 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.542 -4.214 -9.545 1.00 0.00 C ATOM 0 H LEU A 51 2.039 -2.060 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.600 -1.999 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.129 -4.097 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.556 -4.403 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 51 1.379 -3.416 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.668 -5.750 -9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.314 -5.468 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.750 -6.291 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.259 -4.473 -10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.238 -4.960 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.020 -3.234 -9.539 1.00 0.00 H new ATOM 765 N ILE A 52 -0.264 -1.495 -4.749 1.00 0.00 N ATOM 766 CA ILE A 52 -1.076 -0.988 -3.654 1.00 0.00 C ATOM 767 C ILE A 52 -1.712 0.340 -4.050 1.00 0.00 C ATOM 768 O ILE A 52 -2.859 0.618 -3.705 1.00 0.00 O ATOM 769 CB ILE A 52 -0.270 -0.819 -2.353 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.191 -2.179 -1.846 1.00 0.00 C ATOM 771 CG2 ILE A 52 -1.112 -0.122 -1.294 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.137 -2.093 -0.677 1.00 0.00 C ATOM 0 H ILE A 52 0.741 -1.355 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.853 -1.727 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 52 0.605 -0.203 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.681 -2.765 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.679 -2.716 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.528 -0.010 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.411 0.862 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.001 -0.718 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.425 -3.098 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.026 -1.534 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.645 -1.585 0.152 1.00 0.00 H new ATOM 784 N TYR A 53 -0.975 1.155 -4.792 1.00 0.00 N ATOM 785 CA TYR A 53 -1.537 2.379 -5.341 1.00 0.00 C ATOM 786 C TYR A 53 -2.623 2.014 -6.345 1.00 0.00 C ATOM 787 O TYR A 53 -3.735 2.541 -6.302 1.00 0.00 O ATOM 788 CB TYR A 53 -0.448 3.226 -6.002 1.00 0.00 C ATOM 789 CG TYR A 53 -0.937 4.585 -6.449 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.372 5.532 -5.531 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.965 4.915 -7.798 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.818 6.773 -5.946 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.407 6.155 -8.221 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.837 7.090 -7.253 1.00 0.00 C ATOM 795 OH TYR A 53 -2.278 8.314 -7.705 1.00 0.00 O ATOM 0 H TYR A 53 0.004 0.992 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.971 2.973 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.377 3.357 -5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.052 2.688 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.362 5.295 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.636 4.191 -8.529 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.154 7.494 -5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.423 6.404 -9.272 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.211 8.345 -8.682 1.00 0.00 H new ATOM 805 N ASP A 54 -2.283 1.077 -7.226 1.00 0.00 N ATOM 806 CA ASP A 54 -3.240 0.465 -8.144 1.00 0.00 C ATOM 807 C ASP A 54 -4.448 -0.065 -7.380 1.00 0.00 C ATOM 808 O ASP A 54 -5.581 0.027 -7.841 1.00 0.00 O ATOM 809 CB ASP A 54 -2.552 -0.677 -8.904 1.00 0.00 C ATOM 810 CG ASP A 54 -3.520 -1.690 -9.480 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.050 -1.454 -10.585 1.00 0.00 O ATOM 812 OD2 ASP A 54 -3.740 -2.745 -8.840 1.00 0.00 O ATOM 0 H ASP A 54 -1.333 0.719 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.588 1.217 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.955 -0.256 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.863 -1.187 -8.231 1.00 0.00 H new ATOM 817 N PHE A 55 -4.180 -0.593 -6.195 1.00 0.00 N ATOM 818 CA PHE A 55 -5.205 -1.157 -5.328 1.00 0.00 C ATOM 819 C PHE A 55 -6.154 -0.079 -4.828 1.00 0.00 C ATOM 820 O PHE A 55 -7.361 -0.165 -5.026 1.00 0.00 O ATOM 821 CB PHE A 55 -4.547 -1.854 -4.138 1.00 0.00 C ATOM 822 CG PHE A 55 -5.511 -2.226 -3.058 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.364 -3.313 -3.205 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.552 -1.498 -1.889 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.238 -3.656 -2.198 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.423 -1.834 -0.883 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.320 -2.915 -1.081 1.00 0.00 C ATOM 0 H PHE A 55 -3.239 -0.643 -5.805 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.781 -1.879 -5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.041 -2.754 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.781 -1.199 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.341 -3.893 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.891 -0.653 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.864 -4.529 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.425 -1.283 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.067 -3.142 -0.335 1.00 0.00 H new ATOM 837 N ILE A 56 -5.591 0.924 -4.168 1.00 0.00 N ATOM 838 CA ILE A 56 -6.367 2.024 -3.615 1.00 0.00 C ATOM 839 C ILE A 56 -7.193 2.694 -4.707 1.00 0.00 C ATOM 840 O ILE A 56 -8.364 3.022 -4.514 1.00 0.00 O ATOM 841 CB ILE A 56 -5.434 3.049 -2.940 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.685 2.367 -1.794 1.00 0.00 C ATOM 843 CG2 ILE A 56 -6.216 4.250 -2.431 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.647 3.238 -1.126 1.00 0.00 C ATOM 0 H ILE A 56 -4.587 0.998 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.048 1.626 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.717 3.414 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.407 2.043 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.198 1.470 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.532 4.956 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.721 4.736 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.956 3.920 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.163 2.678 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.900 3.541 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.128 4.124 -0.710 1.00 0.00 H new ATOM 856 N GLU A 57 -6.575 2.861 -5.863 1.00 0.00 N ATOM 857 CA GLU A 57 -7.253 3.400 -7.026 1.00 0.00 C ATOM 858 C GLU A 57 -8.381 2.478 -7.480 1.00 0.00 C ATOM 859 O GLU A 57 -9.512 2.918 -7.685 1.00 0.00 O ATOM 860 CB GLU A 57 -6.246 3.600 -8.153 1.00 0.00 C ATOM 861 CG GLU A 57 -5.328 4.793 -7.937 1.00 0.00 C ATOM 862 CD GLU A 57 -4.749 5.326 -9.227 1.00 0.00 C ATOM 863 OE1 GLU A 57 -3.963 4.611 -9.879 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.098 6.465 -9.605 1.00 0.00 O ATOM 0 H GLU A 57 -5.595 2.628 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.695 4.360 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.641 2.699 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.784 3.730 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.883 5.587 -7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.515 4.504 -7.271 1.00 0.00 H new ATOM 871 N ASP A 58 -8.053 1.201 -7.629 1.00 0.00 N ATOM 872 CA ASP A 58 -9.023 0.165 -8.009 1.00 0.00 C ATOM 873 C ASP A 58 -10.230 0.150 -7.071 1.00 0.00 C ATOM 874 O ASP A 58 -11.357 -0.102 -7.500 1.00 0.00 O ATOM 875 CB ASP A 58 -8.347 -1.212 -8.006 1.00 0.00 C ATOM 876 CG ASP A 58 -9.280 -2.344 -8.395 1.00 0.00 C ATOM 877 OD1 ASP A 58 -9.450 -2.589 -9.608 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.819 -3.013 -7.490 1.00 0.00 O ATOM 0 H ASP A 58 -7.106 0.847 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.380 0.397 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.502 -1.195 -8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.944 -1.408 -7.012 1.00 0.00 H new ATOM 883 N GLN A 59 -9.994 0.439 -5.792 1.00 0.00 N ATOM 884 CA GLN A 59 -11.071 0.462 -4.806 1.00 0.00 C ATOM 885 C GLN A 59 -11.989 1.665 -5.029 1.00 0.00 C ATOM 886 O GLN A 59 -13.081 1.742 -4.463 1.00 0.00 O ATOM 887 CB GLN A 59 -10.519 0.496 -3.378 1.00 0.00 C ATOM 888 CG GLN A 59 -9.654 -0.701 -3.002 1.00 0.00 C ATOM 889 CD GLN A 59 -10.291 -2.037 -3.324 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.060 -2.578 -2.536 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.940 -2.600 -4.464 1.00 0.00 N ATOM 0 H GLN A 59 -9.071 0.659 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.646 -0.455 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.932 1.406 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.355 0.556 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.700 -0.628 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.436 -0.660 -1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.298 -2.119 -5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.311 -3.516 -4.716 1.00 0.00 H new ATOM 900 N GLY A 60 -11.554 2.591 -5.873 1.00 0.00 N ATOM 901 CA GLY A 60 -12.364 3.753 -6.180 1.00 0.00 C ATOM 902 C GLY A 60 -11.689 5.061 -5.821 1.00 0.00 C ATOM 903 O GLY A 60 -12.251 6.135 -6.040 1.00 0.00 O ATOM 0 H GLY A 60 -10.654 2.558 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.600 3.753 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.310 3.680 -5.644 1.00 0.00 H new ATOM 907 N GLY A 61 -10.485 4.989 -5.269 1.00 0.00 N ATOM 908 CA GLY A 61 -9.749 6.200 -4.969 1.00 0.00 C ATOM 909 C GLY A 61 -9.142 6.190 -3.588 1.00 0.00 C ATOM 910 O GLY A 61 -9.315 5.234 -2.834 1.00 0.00 O ATOM 0 H GLY A 61 -10.008 4.121 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.958 6.331 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.416 7.057 -5.061 1.00 0.00 H new ATOM 914 N LEU A 62 -8.462 7.280 -3.245 1.00 0.00 N ATOM 915 CA LEU A 62 -7.691 7.356 -2.004 1.00 0.00 C ATOM 916 C LEU A 62 -8.556 7.124 -0.765 1.00 0.00 C ATOM 917 O LEU A 62 -8.182 6.360 0.124 1.00 0.00 O ATOM 918 CB LEU A 62 -6.989 8.710 -1.904 1.00 0.00 C ATOM 919 CG LEU A 62 -6.023 9.021 -3.049 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.406 10.396 -2.870 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.937 7.961 -3.145 1.00 0.00 C ATOM 0 H LEU A 62 -8.428 8.128 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.950 6.558 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.746 9.493 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.439 8.749 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.590 9.014 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.722 10.598 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.194 11.150 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.858 10.429 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.263 8.204 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.375 7.930 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.393 6.988 -3.326 1.00 0.00 H new ATOM 933 N GLU A 63 -9.718 7.767 -0.721 1.00 0.00 N ATOM 934 CA GLU A 63 -10.605 7.684 0.441 1.00 0.00 C ATOM 935 C GLU A 63 -11.191 6.288 0.624 1.00 0.00 C ATOM 936 O GLU A 63 -11.542 5.906 1.739 1.00 0.00 O ATOM 937 CB GLU A 63 -11.759 8.680 0.313 1.00 0.00 C ATOM 938 CG GLU A 63 -11.371 10.126 0.513 1.00 0.00 C ATOM 939 CD GLU A 63 -12.571 11.046 0.420 1.00 0.00 C ATOM 940 OE1 GLU A 63 -13.616 10.729 1.030 1.00 0.00 O ATOM 941 OE2 GLU A 63 -12.486 12.078 -0.281 1.00 0.00 O ATOM 0 H GLU A 63 -10.071 8.354 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.993 7.922 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.206 8.572 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.527 8.420 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.897 10.244 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.634 10.412 -0.237 1.00 0.00 H new ATOM 948 N ALA A 64 -11.278 5.532 -0.462 1.00 0.00 N ATOM 949 CA ALA A 64 -12.010 4.269 -0.467 1.00 0.00 C ATOM 950 C ALA A 64 -11.506 3.300 0.597 1.00 0.00 C ATOM 951 O ALA A 64 -12.249 2.940 1.507 1.00 0.00 O ATOM 952 CB ALA A 64 -11.945 3.629 -1.842 1.00 0.00 C ATOM 0 H ALA A 64 -10.849 5.772 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.048 4.497 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.495 2.688 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.389 4.300 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.905 3.438 -2.106 1.00 0.00 H new ATOM 958 N VAL A 65 -10.239 2.910 0.509 1.00 0.00 N ATOM 959 CA VAL A 65 -9.701 1.885 1.401 1.00 0.00 C ATOM 960 C VAL A 65 -9.699 2.376 2.849 1.00 0.00 C ATOM 961 O VAL A 65 -9.789 1.593 3.793 1.00 0.00 O ATOM 962 CB VAL A 65 -8.269 1.458 0.990 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.132 1.426 -0.521 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.214 2.357 1.608 1.00 0.00 C ATOM 0 H VAL A 65 -9.569 3.283 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.351 1.014 1.318 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.104 0.451 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.119 1.124 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.845 0.713 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.333 2.418 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.224 2.024 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.373 3.384 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.286 2.309 2.695 1.00 0.00 H new ATOM 974 N ARG A 66 -9.637 3.689 3.007 1.00 0.00 N ATOM 975 CA ARG A 66 -9.581 4.306 4.321 1.00 0.00 C ATOM 976 C ARG A 66 -10.944 4.219 4.997 1.00 0.00 C ATOM 977 O ARG A 66 -11.050 4.208 6.225 1.00 0.00 O ATOM 978 CB ARG A 66 -9.144 5.765 4.180 1.00 0.00 C ATOM 979 CG ARG A 66 -7.942 5.944 3.265 1.00 0.00 C ATOM 980 CD ARG A 66 -7.399 7.362 3.319 1.00 0.00 C ATOM 981 NE ARG A 66 -6.818 7.666 4.624 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.055 8.727 4.877 1.00 0.00 C ATOM 983 NH1 ARG A 66 -5.797 9.618 3.926 1.00 0.00 N ATOM 984 NH2 ARG A 66 -5.556 8.898 6.091 1.00 0.00 N ATOM 0 H ARG A 66 -9.624 4.353 2.233 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.856 3.777 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.977 6.352 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.904 6.163 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.158 5.243 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.225 5.702 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.643 7.493 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.201 8.068 3.104 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.010 7.023 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.185 9.493 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.211 10.427 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.757 8.219 6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.970 9.709 6.292 1.00 0.00 H new ATOM 998 N GLN A 67 -11.983 4.141 4.177 1.00 0.00 N ATOM 999 CA GLN A 67 -13.346 4.045 4.667 1.00 0.00 C ATOM 1000 C GLN A 67 -13.780 2.591 4.817 1.00 0.00 C ATOM 1001 O GLN A 67 -14.689 2.290 5.584 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.298 4.785 3.734 1.00 0.00 C ATOM 1003 CG GLN A 67 -14.142 6.296 3.785 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.045 7.019 2.803 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -15.345 6.517 1.719 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -15.495 8.204 3.182 1.00 0.00 N ATOM 0 H GLN A 67 -11.903 4.143 3.160 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.381 4.510 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.131 4.444 2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.324 4.524 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.360 6.644 4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.104 6.556 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.224 8.587 4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.113 8.735 2.568 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.121 1.682 4.098 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.472 0.264 4.165 1.00 0.00 C ATOM 1017 C GLU A 68 -13.125 -0.322 5.522 1.00 0.00 C ATOM 1018 O GLU A 68 -13.600 -1.395 5.883 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.794 -0.536 3.065 1.00 0.00 C ATOM 1020 CG GLU A 68 -13.089 0.002 1.688 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.016 -1.055 0.614 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.035 -1.744 0.393 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -11.956 -1.190 -0.020 1.00 0.00 O ATOM 0 H GLU A 68 -12.349 1.899 3.468 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.550 0.196 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.716 -0.531 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.121 -1.574 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.083 0.448 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.381 0.798 1.456 1.00 0.00 H new ATOM 1030 N MET A 69 -12.304 0.397 6.275 1.00 0.00 N ATOM 1031 CA MET A 69 -12.029 0.037 7.659 1.00 0.00 C ATOM 1032 C MET A 69 -13.315 0.081 8.475 1.00 0.00 C ATOM 1033 O MET A 69 -13.444 -0.584 9.501 1.00 0.00 O ATOM 1034 CB MET A 69 -11.013 0.989 8.273 1.00 0.00 C ATOM 1035 CG MET A 69 -9.606 0.753 7.779 1.00 0.00 C ATOM 1036 SD MET A 69 -8.391 1.727 8.670 1.00 0.00 S ATOM 1037 CE MET A 69 -6.909 0.980 8.022 1.00 0.00 C ATOM 0 H MET A 69 -11.817 1.233 5.951 1.00 0.00 H new ATOM 0 HA MET A 69 -11.620 -0.973 7.672 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.303 2.015 8.048 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.034 0.883 9.358 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.362 -0.305 7.878 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.552 0.994 6.717 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.349 0.519 8.835 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.176 0.220 7.288 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.295 1.744 7.546 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.262 0.880 7.997 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.526 1.089 8.681 1.00 0.00 C ATOM 1049 C ARG A 70 -16.681 0.819 7.721 1.00 0.00 C ATOM 1050 O ARG A 70 -17.814 1.238 7.956 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.599 2.533 9.185 1.00 0.00 C ATOM 1052 CG ARG A 70 -14.361 2.978 9.948 1.00 0.00 C ATOM 1053 CD ARG A 70 -14.366 4.474 10.206 1.00 0.00 C ATOM 1054 NE ARG A 70 -15.438 4.874 11.115 1.00 0.00 N ATOM 1055 CZ ARG A 70 -15.901 6.119 11.219 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -15.408 7.087 10.456 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -16.862 6.403 12.087 1.00 0.00 N ATOM 0 H ARG A 70 -14.172 1.400 7.124 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.598 0.406 9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.749 3.198 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.471 2.639 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.308 2.445 10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.469 2.710 9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.405 4.772 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.478 5.004 9.260 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.857 4.156 11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.669 6.880 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.768 8.037 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.249 5.667 12.678 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.214 7.357 12.164 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.871 -3.834 4.369 1.00 0.00 N ATOM 1204 CA VAL B 79 -10.171 -3.750 3.083 1.00 0.00 C ATOM 1205 C VAL B 79 -8.828 -4.506 3.090 1.00 0.00 C ATOM 1206 O VAL B 79 -8.378 -4.981 2.047 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.954 -2.262 2.687 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.366 -1.475 3.833 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.058 -2.116 1.474 1.00 0.00 C ATOM 0 HA VAL B 79 -10.804 -4.235 2.340 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.938 -1.865 2.438 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.225 -0.438 3.528 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -10.043 -1.513 4.686 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.404 -1.905 4.114 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.937 -1.059 1.236 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.083 -2.554 1.687 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.509 -2.629 0.625 1.00 0.00 H new ATOM 1219 N ALA B 80 -8.210 -4.642 4.263 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.919 -5.323 4.391 1.00 0.00 C ATOM 1221 C ALA B 80 -6.893 -6.671 3.675 1.00 0.00 C ATOM 1222 O ALA B 80 -5.947 -6.968 2.950 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.568 -5.508 5.852 1.00 0.00 C ATOM 0 H ALA B 80 -8.584 -4.288 5.143 1.00 0.00 H new ATOM 0 HA ALA B 80 -6.175 -4.687 3.910 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.607 -6.015 5.934 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.507 -4.534 6.338 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.337 -6.108 6.338 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.934 -7.481 3.860 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.992 -8.796 3.219 1.00 0.00 C ATOM 1231 C GLN B 81 -8.053 -8.668 1.703 1.00 0.00 C ATOM 1232 O GLN B 81 -7.449 -9.456 0.978 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.191 -9.599 3.715 1.00 0.00 C ATOM 1234 CG GLN B 81 -8.891 -10.463 4.922 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.883 -11.557 4.625 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -7.861 -12.036 3.387 1.00 0.00 O flip ATOM 1237 NE2 GLN B 81 -7.136 -11.975 5.503 1.00 0.00 N flip ATOM 0 H GLN B 81 -8.741 -7.255 4.441 1.00 0.00 H new ATOM 0 HA GLN B 81 -7.079 -9.326 3.489 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.999 -8.911 3.964 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.551 -10.234 2.906 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -8.512 -9.835 5.728 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -9.816 -10.915 5.279 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -7.183 -11.581 6.443 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -6.468 -12.716 5.294 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.768 -7.654 1.240 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.903 -7.372 -0.166 1.00 0.00 C ATOM 1248 C ARG B 82 -7.544 -6.964 -0.742 1.00 0.00 C ATOM 1249 O ARG B 82 -7.231 -7.227 -1.904 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.946 -6.259 -0.326 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.801 -5.477 -1.599 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.627 -6.052 -2.735 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.886 -5.326 -2.880 1.00 0.00 N ATOM 1254 CZ ARG B 82 -12.785 -5.545 -3.837 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -12.617 -6.517 -4.723 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -13.864 -4.780 -3.903 1.00 0.00 N ATOM 0 H ARG B 82 -9.272 -7.003 1.842 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.236 -8.253 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.943 -6.699 -0.291 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.869 -5.576 0.520 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.102 -4.444 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.751 -5.458 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -10.062 -5.998 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -10.830 -7.106 -2.546 1.00 0.00 H new ATOM 0 HE ARG B 82 -12.092 -4.597 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -11.789 -7.111 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -13.316 -6.671 -5.450 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -14.000 -4.031 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -14.559 -4.940 -4.633 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.737 -6.349 0.109 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.407 -5.894 -0.262 1.00 0.00 C ATOM 1272 C LEU B 83 -4.389 -7.034 -0.221 1.00 0.00 C ATOM 1273 O LEU B 83 -3.583 -7.169 -1.139 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.968 -4.759 0.665 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.521 -4.289 0.492 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.271 -3.794 -0.922 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -3.197 -3.194 1.489 1.00 0.00 C ATOM 0 H LEU B 83 -6.987 -6.151 1.078 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.451 -5.528 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.630 -3.907 0.507 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -5.106 -5.082 1.697 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.869 -5.142 0.677 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.235 -3.467 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.461 -4.601 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -3.936 -2.958 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.165 -2.871 1.352 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.866 -2.348 1.330 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.327 -3.574 2.502 1.00 0.00 H new ATOM 1289 N MET B 84 -4.429 -7.846 0.838 1.00 0.00 N ATOM 1290 CA MET B 84 -3.471 -8.946 1.016 1.00 0.00 C ATOM 1291 C MET B 84 -3.349 -9.772 -0.257 1.00 0.00 C ATOM 1292 O MET B 84 -2.257 -9.950 -0.804 1.00 0.00 O ATOM 1293 CB MET B 84 -3.898 -9.878 2.154 1.00 0.00 C ATOM 1294 CG MET B 84 -4.050 -9.209 3.508 1.00 0.00 C ATOM 1295 SD MET B 84 -4.504 -10.387 4.795 1.00 0.00 S ATOM 1296 CE MET B 84 -5.071 -9.294 6.098 1.00 0.00 C ATOM 0 H MET B 84 -5.115 -7.764 1.588 1.00 0.00 H new ATOM 0 HA MET B 84 -2.510 -8.491 1.258 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.847 -10.342 1.886 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.164 -10.679 2.242 1.00 0.00 H new ATOM 0 HG2 MET B 84 -3.114 -8.720 3.778 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.810 -8.430 3.445 1.00 0.00 H new ATOM 0 HE1 MET B 84 -6.001 -9.679 6.517 1.00 0.00 H new ATOM 0 HE2 MET B 84 -4.315 -9.239 6.882 1.00 0.00 H new ATOM 0 HE3 MET B 84 -5.242 -8.298 5.689 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.487 -10.257 -0.729 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.537 -11.098 -1.913 1.00 0.00 C ATOM 1308 C GLN B 85 -4.198 -10.309 -3.173 1.00 0.00 C ATOM 1309 O GLN B 85 -3.651 -10.859 -4.123 1.00 0.00 O ATOM 1310 CB GLN B 85 -5.922 -11.720 -2.041 1.00 0.00 C ATOM 1311 CG GLN B 85 -6.264 -12.669 -0.908 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.742 -12.995 -0.854 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -8.506 -12.330 -0.161 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -8.158 -13.999 -1.609 1.00 0.00 N ATOM 0 H GLN B 85 -5.397 -10.079 -0.304 1.00 0.00 H new ATOM 0 HA GLN B 85 -3.791 -11.885 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.667 -10.925 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -5.984 -12.258 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -5.695 -13.591 -1.026 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -5.958 -12.225 0.039 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -7.489 -14.526 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -9.148 -14.246 -1.630 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.494 -9.012 -3.159 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.275 -8.153 -4.324 1.00 0.00 C ATOM 1325 C HIS B 86 -2.804 -8.149 -4.741 1.00 0.00 C ATOM 1326 O HIS B 86 -2.487 -8.012 -5.920 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.748 -6.725 -4.030 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.774 -5.825 -5.231 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.863 -5.731 -6.067 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.847 -4.970 -5.727 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.609 -4.861 -7.027 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.394 -4.383 -6.844 1.00 0.00 N ATOM 0 H HIS B 86 -4.888 -8.529 -2.351 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.859 -8.555 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.749 -6.767 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.095 -6.286 -3.275 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -2.863 -4.784 -5.321 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.282 -4.587 -7.826 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.934 -3.690 -7.435 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.906 -8.291 -3.776 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.485 -8.369 -4.091 1.00 0.00 C ATOM 1343 C LEU B 87 -0.096 -9.792 -4.477 1.00 0.00 C ATOM 1344 O LEU B 87 0.740 -10.004 -5.359 1.00 0.00 O ATOM 1345 CB LEU B 87 0.385 -7.894 -2.921 1.00 0.00 C ATOM 1346 CG LEU B 87 0.345 -6.393 -2.610 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.181 -5.564 -3.879 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.754 -6.083 -1.613 1.00 0.00 C ATOM 0 H LEU B 87 -2.130 -8.354 -2.783 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.307 -7.705 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU B 87 0.081 -8.437 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.418 -8.173 -3.128 1.00 0.00 H new ATOM 0 HG LEU B 87 1.301 -6.120 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.157 -4.505 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU B 87 1.019 -5.755 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.750 -5.838 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.766 -5.013 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.716 -6.383 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.571 -6.630 -0.688 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.721 -10.763 -3.829 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.419 -12.169 -4.073 1.00 0.00 C ATOM 1362 C ALA B 88 -0.773 -12.569 -5.502 1.00 0.00 C ATOM 1363 O ALA B 88 -0.108 -13.409 -6.108 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.161 -13.043 -3.075 1.00 0.00 C ATOM 0 H ALA B 88 -1.444 -10.604 -3.127 1.00 0.00 H new ATOM 0 HA ALA B 88 0.653 -12.316 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -0.929 -14.091 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.853 -12.781 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.234 -12.884 -3.180 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.809 -11.937 -6.042 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.269 -12.217 -7.395 1.00 0.00 C ATOM 1372 C GLU B 89 -1.230 -11.813 -8.443 1.00 0.00 C ATOM 1373 O GLU B 89 -1.294 -12.266 -9.584 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.575 -11.474 -7.672 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.712 -11.864 -6.741 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.958 -11.023 -6.934 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.905 -9.803 -6.665 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -6.988 -11.567 -7.375 1.00 0.00 O ATOM 0 H GLU B 89 -2.350 -11.221 -5.557 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.429 -13.293 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.398 -10.402 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.879 -11.664 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.961 -12.913 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -4.375 -11.771 -5.708 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.269 -10.972 -8.066 1.00 0.00 N ATOM 1386 CA HIS B 90 0.665 -10.422 -9.047 1.00 0.00 C ATOM 1387 C HIS B 90 2.123 -10.772 -8.738 1.00 0.00 C ATOM 1388 O HIS B 90 3.032 -10.314 -9.434 1.00 0.00 O ATOM 1389 CB HIS B 90 0.505 -8.905 -9.152 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.867 -8.474 -9.574 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.924 -8.051 -8.844 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -1.289 -8.470 -10.885 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.953 -7.806 -9.715 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -2.544 -8.066 -10.941 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.117 -10.661 -7.107 1.00 0.00 H new ATOM 0 HA HIS B 90 0.417 -10.883 -10.003 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.737 -8.456 -8.186 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.233 -8.520 -9.866 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.950 -7.936 -7.831 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.686 -8.753 -11.735 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.938 -7.457 -9.442 1.00 0.00 H new ATOM 1403 N GLY B 91 2.347 -11.574 -7.706 1.00 0.00 N ATOM 1404 CA GLY B 91 3.695 -12.041 -7.405 1.00 0.00 C ATOM 1405 C GLY B 91 4.548 -11.013 -6.679 1.00 0.00 C ATOM 1406 O GLY B 91 5.761 -10.952 -6.876 1.00 0.00 O ATOM 0 H GLY B 91 1.624 -11.912 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.630 -12.943 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.190 -12.320 -8.335 1.00 0.00 H new ATOM 1410 N ILE B 92 3.905 -10.200 -5.855 1.00 0.00 N ATOM 1411 CA ILE B 92 4.585 -9.228 -5.012 1.00 0.00 C ATOM 1412 C ILE B 92 5.550 -9.901 -4.033 1.00 0.00 C ATOM 1413 O ILE B 92 5.293 -11.011 -3.558 1.00 0.00 O ATOM 1414 CB ILE B 92 3.531 -8.405 -4.242 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.146 -7.182 -5.064 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.004 -8.008 -2.852 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.295 -7.501 -6.265 1.00 0.00 C ATOM 0 H ILE B 92 2.890 -10.196 -5.752 1.00 0.00 H new ATOM 0 HA ILE B 92 5.178 -8.573 -5.650 1.00 0.00 H new ATOM 0 HB ILE B 92 2.653 -9.034 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.609 -6.481 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE B 92 4.054 -6.679 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.225 -7.431 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.219 -8.905 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.907 -7.403 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.061 -6.581 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.837 -8.177 -6.926 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.370 -7.976 -5.939 1.00 0.00 H new ATOM 1429 N GLN B 93 6.662 -9.223 -3.748 1.00 0.00 N ATOM 1430 CA GLN B 93 7.630 -9.709 -2.768 1.00 0.00 C ATOM 1431 C GLN B 93 7.013 -9.694 -1.376 1.00 0.00 C ATOM 1432 O GLN B 93 6.550 -8.654 -0.915 1.00 0.00 O ATOM 1433 CB GLN B 93 8.901 -8.849 -2.749 1.00 0.00 C ATOM 1434 CG GLN B 93 9.767 -8.948 -3.995 1.00 0.00 C ATOM 1435 CD GLN B 93 9.206 -8.177 -5.170 1.00 0.00 C ATOM 1436 OE1 GLN B 93 8.474 -8.722 -5.998 1.00 0.00 O ATOM 1437 NE2 GLN B 93 9.522 -6.893 -5.231 1.00 0.00 N ATOM 0 H GLN B 93 6.914 -8.335 -4.183 1.00 0.00 H new ATOM 0 HA GLN B 93 7.900 -10.725 -3.056 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.614 -7.807 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.501 -9.135 -1.885 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.766 -8.575 -3.767 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.874 -9.996 -4.274 1.00 0.00 H new ATOM 0 HE21 GLN B 93 10.132 -6.484 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN B 93 9.156 -6.313 -5.986 1.00 0.00 H new