USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 461 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 42 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc=0.000498 USER MOD Set 2.1: A 48 SER OG : rot -88:sc= 0.606 USER MOD Set 2.2: A 51 GLN : amide:sc= 1.52 K(o=2.1,f=-3.5!) USER MOD Set 3.1: A 27 HIS : no HD1:sc= 0 X(o=0.016,f=0.016) USER MOD Set 3.2: A 30 ASN : amide:sc= 0.0158 K(o=0.016,f=-6.5!) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0253 (180deg=-0.408) USER MOD Single : A 16 SER OG : rot -29:sc= 0.519 USER MOD Single : A 18 GLN : amide:sc= -3.34! K(o=-3.3!,f=-1.9) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -169:sc= -0.0646 USER MOD Single : A 36 GLN : amide:sc= -1.89! C(o=-1.9!,f=-5.2!) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc=-0.00498 (180deg=-0.346) USER MOD Single : A 43 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.38) USER MOD Single : A 44 GLN : amide:sc= -2.09 K(o=-2.1,f=-3.7!) USER MOD Single : A 45 THR OG1 : rot -81:sc= 1.1 USER MOD Single : A 46 HIS : no HD1:sc= 0.329 K(o=0.33,f=-1.9!) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.891 USER MOD Single : A 54 ASN : amide:sc= 1.27 K(o=1.3,f=-0.1) USER MOD Single : A 58 ASN : amide:sc= -5.39! C(o=-5.4!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 12 8.103 6.013 -2.194 1.00 0.00 N ATOM 175 CA LEU A 12 7.431 6.980 -1.287 1.00 0.00 C ATOM 176 C LEU A 12 8.229 7.109 0.024 1.00 0.00 C ATOM 177 O LEU A 12 9.063 6.276 0.327 1.00 0.00 O ATOM 178 CB LEU A 12 6.007 6.489 -0.978 1.00 0.00 C ATOM 179 CG LEU A 12 5.415 5.785 -2.199 1.00 0.00 C ATOM 180 CD1 LEU A 12 3.969 5.375 -1.896 1.00 0.00 C ATOM 181 CD2 LEU A 12 5.441 6.743 -3.394 1.00 0.00 C ATOM 0 HA LEU A 12 7.382 7.954 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.026 5.806 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.377 7.332 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 12 6.000 4.896 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.544 4.873 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.954 4.698 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.380 6.263 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.020 6.246 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.852 7.630 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.470 7.035 -3.604 1.00 0.00 H new ATOM 193 N PRO A 13 7.969 8.133 0.813 1.00 0.00 N ATOM 194 CA PRO A 13 8.673 8.341 2.120 1.00 0.00 C ATOM 195 C PRO A 13 8.526 7.147 3.079 1.00 0.00 C ATOM 196 O PRO A 13 7.581 6.384 3.007 1.00 0.00 O ATOM 197 CB PRO A 13 7.998 9.597 2.706 1.00 0.00 C ATOM 198 CG PRO A 13 7.428 10.310 1.529 1.00 0.00 C ATOM 199 CD PRO A 13 6.995 9.218 0.559 1.00 0.00 C ATOM 0 HA PRO A 13 9.748 8.448 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.220 9.330 3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.717 10.221 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.583 10.934 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.168 10.968 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.972 8.893 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.034 9.560 -0.475 1.00 0.00 H new ATOM 207 N LYS A 14 9.470 6.984 3.967 1.00 0.00 N ATOM 208 CA LYS A 14 9.420 5.852 4.934 1.00 0.00 C ATOM 209 C LYS A 14 8.151 5.955 5.786 1.00 0.00 C ATOM 210 O LYS A 14 7.521 4.962 6.097 1.00 0.00 O ATOM 211 CB LYS A 14 10.650 5.920 5.844 1.00 0.00 C ATOM 212 CG LYS A 14 11.914 5.623 5.033 1.00 0.00 C ATOM 213 CD LYS A 14 13.138 5.685 5.951 1.00 0.00 C ATOM 214 CE LYS A 14 14.397 5.337 5.154 1.00 0.00 C ATOM 215 NZ LYS A 14 14.609 6.359 4.089 1.00 0.00 N ATOM 0 H LYS A 14 10.282 7.594 4.064 1.00 0.00 H new ATOM 0 HA LYS A 14 9.411 4.907 4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.723 6.908 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.552 5.201 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.841 4.637 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.017 6.345 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.232 6.682 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.018 4.989 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.262 5.302 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.296 4.347 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.587 6.300 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.951 6.183 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.437 7.308 4.479 1.00 0.00 H new ATOM 229 N GLU A 15 7.772 7.143 6.175 1.00 0.00 N ATOM 230 CA GLU A 15 6.545 7.294 7.009 1.00 0.00 C ATOM 231 C GLU A 15 5.328 6.790 6.227 1.00 0.00 C ATOM 232 O GLU A 15 4.487 6.088 6.752 1.00 0.00 O ATOM 233 CB GLU A 15 6.352 8.772 7.357 1.00 0.00 C ATOM 234 CG GLU A 15 5.136 8.929 8.274 1.00 0.00 C ATOM 235 CD GLU A 15 4.980 10.399 8.674 1.00 0.00 C ATOM 236 OE1 GLU A 15 5.664 11.227 8.097 1.00 0.00 O ATOM 237 OE2 GLU A 15 4.174 10.671 9.549 1.00 0.00 O ATOM 0 H GLU A 15 8.257 8.012 5.952 1.00 0.00 H new ATOM 0 HA GLU A 15 6.651 6.712 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.244 9.160 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.212 9.355 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.237 8.583 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.256 8.311 9.163 1.00 0.00 H new ATOM 244 N SER A 16 5.226 7.149 4.975 1.00 0.00 N ATOM 245 CA SER A 16 4.065 6.697 4.155 1.00 0.00 C ATOM 246 C SER A 16 4.150 5.185 3.936 1.00 0.00 C ATOM 247 O SER A 16 3.154 4.488 3.938 1.00 0.00 O ATOM 248 CB SER A 16 4.100 7.407 2.806 1.00 0.00 C ATOM 249 OG SER A 16 5.325 7.100 2.154 1.00 0.00 O ATOM 0 H SER A 16 5.899 7.738 4.484 1.00 0.00 H new ATOM 0 HA SER A 16 3.136 6.935 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.257 7.091 2.192 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.007 8.484 2.945 1.00 0.00 H new ATOM 0 HG SER A 16 6.020 6.935 2.825 1.00 0.00 H new ATOM 255 N VAL A 17 5.335 4.677 3.744 1.00 0.00 N ATOM 256 CA VAL A 17 5.502 3.214 3.522 1.00 0.00 C ATOM 257 C VAL A 17 5.070 2.463 4.780 1.00 0.00 C ATOM 258 O VAL A 17 4.414 1.444 4.714 1.00 0.00 O ATOM 259 CB VAL A 17 6.973 2.914 3.217 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.202 1.399 3.203 1.00 0.00 C ATOM 261 CG2 VAL A 17 7.345 3.500 1.849 1.00 0.00 C ATOM 0 H VAL A 17 6.201 5.216 3.731 1.00 0.00 H new ATOM 0 HA VAL A 17 4.887 2.893 2.681 1.00 0.00 H new ATOM 0 HB VAL A 17 7.597 3.365 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.250 1.191 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.944 0.983 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.575 0.943 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.392 3.286 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.717 3.052 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.191 4.579 1.861 1.00 0.00 H new ATOM 271 N GLN A 18 5.451 2.948 5.928 1.00 0.00 N ATOM 272 CA GLN A 18 5.076 2.256 7.190 1.00 0.00 C ATOM 273 C GLN A 18 3.550 2.210 7.319 1.00 0.00 C ATOM 274 O GLN A 18 2.971 1.174 7.579 1.00 0.00 O ATOM 275 CB GLN A 18 5.661 3.035 8.369 1.00 0.00 C ATOM 276 CG GLN A 18 5.461 2.249 9.665 1.00 0.00 C ATOM 277 CD GLN A 18 6.322 0.986 9.632 1.00 0.00 C ATOM 278 OE1 GLN A 18 7.457 1.024 9.204 1.00 0.00 O ATOM 279 NE2 GLN A 18 5.825 -0.138 10.065 1.00 0.00 N ATOM 0 H GLN A 18 6.007 3.795 6.046 1.00 0.00 H new ATOM 0 HA GLN A 18 5.465 1.238 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.723 3.217 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.179 4.010 8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.733 2.865 10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.411 1.983 9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.871 -0.169 10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.390 -0.987 10.044 1.00 0.00 H new ATOM 288 N ILE A 19 2.895 3.328 7.146 1.00 0.00 N ATOM 289 CA ILE A 19 1.408 3.345 7.264 1.00 0.00 C ATOM 290 C ILE A 19 0.790 2.506 6.142 1.00 0.00 C ATOM 291 O ILE A 19 -0.115 1.723 6.362 1.00 0.00 O ATOM 292 CB ILE A 19 0.911 4.791 7.146 1.00 0.00 C ATOM 293 CG1 ILE A 19 1.374 5.597 8.364 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.619 4.806 7.074 1.00 0.00 C ATOM 295 CD1 ILE A 19 1.099 7.085 8.126 1.00 0.00 C ATOM 0 H ILE A 19 3.324 4.227 6.929 1.00 0.00 H new ATOM 0 HA ILE A 19 1.116 2.929 8.228 1.00 0.00 H new ATOM 0 HB ILE A 19 1.320 5.238 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.851 5.258 9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.438 5.436 8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.969 5.835 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.948 4.239 6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.030 4.355 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.428 7.659 8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.642 7.419 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.030 7.238 7.974 1.00 0.00 H new ATOM 307 N LEU A 20 1.268 2.672 4.939 1.00 0.00 N ATOM 308 CA LEU A 20 0.711 1.898 3.795 1.00 0.00 C ATOM 309 C LEU A 20 0.994 0.406 3.992 1.00 0.00 C ATOM 310 O LEU A 20 0.152 -0.437 3.752 1.00 0.00 O ATOM 311 CB LEU A 20 1.374 2.380 2.504 1.00 0.00 C ATOM 312 CG LEU A 20 0.899 3.802 2.158 1.00 0.00 C ATOM 313 CD1 LEU A 20 1.820 4.395 1.086 1.00 0.00 C ATOM 314 CD2 LEU A 20 -0.548 3.778 1.624 1.00 0.00 C ATOM 0 H LEU A 20 2.024 3.314 4.699 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.367 2.049 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.458 2.369 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.132 1.700 1.687 1.00 0.00 H new ATOM 0 HG LEU A 20 0.930 4.411 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.487 5.403 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.841 4.433 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.787 3.771 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.865 4.793 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.594 3.163 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.209 3.361 2.383 1.00 0.00 H new ATOM 326 N ARG A 21 2.180 0.081 4.422 1.00 0.00 N ATOM 327 CA ARG A 21 2.544 -1.346 4.637 1.00 0.00 C ATOM 328 C ARG A 21 1.712 -1.915 5.790 1.00 0.00 C ATOM 329 O ARG A 21 1.267 -3.046 5.746 1.00 0.00 O ATOM 330 CB ARG A 21 4.032 -1.437 4.977 1.00 0.00 C ATOM 331 CG ARG A 21 4.443 -2.907 5.099 1.00 0.00 C ATOM 332 CD ARG A 21 5.942 -2.999 5.406 1.00 0.00 C ATOM 333 NE ARG A 21 6.208 -2.425 6.756 1.00 0.00 N ATOM 334 CZ ARG A 21 7.434 -2.311 7.197 1.00 0.00 C ATOM 335 NH1 ARG A 21 8.438 -2.695 6.458 1.00 0.00 N ATOM 336 NH2 ARG A 21 7.653 -1.812 8.383 1.00 0.00 N ATOM 0 H ARG A 21 2.920 0.750 4.636 1.00 0.00 H new ATOM 0 HA ARG A 21 2.342 -1.920 3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.623 -0.947 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.234 -0.914 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.869 -3.391 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.218 -3.436 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.269 -4.038 5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.513 -2.459 4.650 1.00 0.00 H new ATOM 0 HE ARG A 21 5.429 -2.119 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.269 -3.086 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.392 -2.604 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.869 -1.512 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.608 -1.722 8.730 1.00 0.00 H new ATOM 350 N ASP A 22 1.511 -1.145 6.825 1.00 0.00 N ATOM 351 CA ASP A 22 0.722 -1.643 7.988 1.00 0.00 C ATOM 352 C ASP A 22 -0.680 -2.037 7.519 1.00 0.00 C ATOM 353 O ASP A 22 -1.203 -3.069 7.893 1.00 0.00 O ATOM 354 CB ASP A 22 0.599 -0.527 9.026 1.00 0.00 C ATOM 355 CG ASP A 22 1.940 -0.311 9.728 1.00 0.00 C ATOM 356 OD1 ASP A 22 2.794 -1.175 9.617 1.00 0.00 O ATOM 357 OD2 ASP A 22 2.089 0.717 10.368 1.00 0.00 O ATOM 0 H ASP A 22 1.860 -0.191 6.915 1.00 0.00 H new ATOM 0 HA ASP A 22 1.223 -2.507 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.280 0.396 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.166 -0.784 9.758 1.00 0.00 H new ATOM 362 N TRP A 23 -1.291 -1.224 6.707 1.00 0.00 N ATOM 363 CA TRP A 23 -2.656 -1.549 6.213 1.00 0.00 C ATOM 364 C TRP A 23 -2.605 -2.841 5.400 1.00 0.00 C ATOM 365 O TRP A 23 -3.414 -3.731 5.571 1.00 0.00 O ATOM 366 CB TRP A 23 -3.145 -0.415 5.317 1.00 0.00 C ATOM 367 CG TRP A 23 -4.500 -0.750 4.782 1.00 0.00 C ATOM 368 CD1 TRP A 23 -4.752 -1.195 3.530 1.00 0.00 C ATOM 369 CD2 TRP A 23 -5.788 -0.664 5.454 1.00 0.00 C ATOM 370 NE1 TRP A 23 -6.113 -1.396 3.393 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.795 -1.081 4.552 1.00 0.00 C ATOM 372 CE3 TRP A 23 -6.176 -0.270 6.747 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -8.140 -1.109 4.921 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -7.528 -0.295 7.121 1.00 0.00 C ATOM 375 CH2 TRP A 23 -8.508 -0.713 6.210 1.00 0.00 C ATOM 0 H TRP A 23 -0.903 -0.346 6.363 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.333 -1.673 7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.185 0.517 5.881 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.446 -0.260 4.495 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.011 -1.365 2.763 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.559 -1.735 2.541 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.429 0.054 7.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.891 -1.434 4.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.815 0.010 8.117 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.547 -0.729 6.504 1.00 0.00 H new ATOM 386 N LEU A 24 -1.659 -2.944 4.508 1.00 0.00 N ATOM 387 CA LEU A 24 -1.550 -4.172 3.675 1.00 0.00 C ATOM 388 C LEU A 24 -1.240 -5.370 4.572 1.00 0.00 C ATOM 389 O LEU A 24 -1.787 -6.442 4.408 1.00 0.00 O ATOM 390 CB LEU A 24 -0.419 -3.992 2.657 1.00 0.00 C ATOM 391 CG LEU A 24 -0.279 -5.254 1.792 1.00 0.00 C ATOM 392 CD1 LEU A 24 -1.581 -5.512 1.019 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.880 -5.066 0.809 1.00 0.00 C ATOM 0 H LEU A 24 -0.956 -2.229 4.321 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.491 -4.344 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.624 -3.129 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.519 -3.792 3.176 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.078 -6.111 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.471 -6.409 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.401 -5.651 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.797 -4.660 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.983 -5.959 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.679 -4.206 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.804 -4.899 1.363 1.00 0.00 H new ATOM 405 N TYR A 25 -0.344 -5.197 5.505 1.00 0.00 N ATOM 406 CA TYR A 25 0.033 -6.319 6.408 1.00 0.00 C ATOM 407 C TYR A 25 -1.195 -6.775 7.198 1.00 0.00 C ATOM 408 O TYR A 25 -1.435 -7.953 7.375 1.00 0.00 O ATOM 409 CB TYR A 25 1.118 -5.840 7.370 1.00 0.00 C ATOM 410 CG TYR A 25 1.489 -6.963 8.306 1.00 0.00 C ATOM 411 CD1 TYR A 25 2.373 -7.960 7.880 1.00 0.00 C ATOM 412 CD2 TYR A 25 0.951 -7.007 9.598 1.00 0.00 C ATOM 413 CE1 TYR A 25 2.721 -9.004 8.747 1.00 0.00 C ATOM 414 CE2 TYR A 25 1.298 -8.050 10.465 1.00 0.00 C ATOM 415 CZ TYR A 25 2.183 -9.049 10.039 1.00 0.00 C ATOM 416 OH TYR A 25 2.525 -10.077 10.893 1.00 0.00 O ATOM 0 H TYR A 25 0.146 -4.320 5.681 1.00 0.00 H new ATOM 0 HA TYR A 25 0.409 -7.156 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.995 -5.512 6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.762 -4.981 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.787 -7.925 6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.269 -6.237 9.926 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.404 -9.774 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.884 -8.084 11.462 1.00 0.00 H new ATOM 0 HH TYR A 25 2.065 -9.957 11.750 1.00 0.00 H new ATOM 426 N GLU A 26 -1.967 -5.844 7.682 1.00 0.00 N ATOM 427 CA GLU A 26 -3.180 -6.205 8.467 1.00 0.00 C ATOM 428 C GLU A 26 -4.246 -6.786 7.539 1.00 0.00 C ATOM 429 O GLU A 26 -5.010 -7.650 7.927 1.00 0.00 O ATOM 430 CB GLU A 26 -3.724 -4.954 9.152 1.00 0.00 C ATOM 431 CG GLU A 26 -2.750 -4.513 10.244 1.00 0.00 C ATOM 432 CD GLU A 26 -3.225 -3.194 10.852 1.00 0.00 C ATOM 433 OE1 GLU A 26 -4.248 -2.694 10.411 1.00 0.00 O ATOM 434 OE2 GLU A 26 -2.558 -2.702 11.748 1.00 0.00 O ATOM 0 H GLU A 26 -1.809 -4.843 7.567 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.918 -6.951 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.857 -4.155 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.704 -5.158 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.684 -5.279 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.750 -4.394 9.827 1.00 0.00 H new ATOM 441 N HIS A 27 -4.310 -6.306 6.319 1.00 0.00 N ATOM 442 CA HIS A 27 -5.332 -6.805 5.349 1.00 0.00 C ATOM 443 C HIS A 27 -4.635 -7.430 4.137 1.00 0.00 C ATOM 444 O HIS A 27 -4.845 -7.029 3.008 1.00 0.00 O ATOM 445 CB HIS A 27 -6.213 -5.634 4.910 1.00 0.00 C ATOM 446 CG HIS A 27 -7.017 -5.154 6.092 1.00 0.00 C ATOM 447 ND1 HIS A 27 -6.609 -4.092 6.886 1.00 0.00 N ATOM 448 CD2 HIS A 27 -8.202 -5.589 6.633 1.00 0.00 C ATOM 449 CE1 HIS A 27 -7.533 -3.926 7.850 1.00 0.00 C ATOM 450 NE2 HIS A 27 -8.527 -4.813 7.742 1.00 0.00 N ATOM 0 H HIS A 27 -3.691 -5.583 5.953 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.952 -7.566 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.596 -4.824 4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.878 -5.944 4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.793 -6.410 6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.478 -3.168 8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.347 -4.902 8.343 1.00 0.00 H new ATOM 458 N ARG A 28 -3.813 -8.420 4.370 1.00 0.00 N ATOM 459 CA ARG A 28 -3.110 -9.103 3.247 1.00 0.00 C ATOM 460 C ARG A 28 -4.126 -9.882 2.406 1.00 0.00 C ATOM 461 O ARG A 28 -4.021 -9.958 1.197 1.00 0.00 O ATOM 462 CB ARG A 28 -2.063 -10.070 3.813 1.00 0.00 C ATOM 463 CG ARG A 28 -0.890 -9.282 4.398 1.00 0.00 C ATOM 464 CD ARG A 28 0.123 -10.249 5.025 1.00 0.00 C ATOM 465 NE ARG A 28 -0.477 -10.870 6.240 1.00 0.00 N ATOM 466 CZ ARG A 28 0.175 -11.789 6.906 1.00 0.00 C ATOM 467 NH1 ARG A 28 1.357 -12.174 6.512 1.00 0.00 N ATOM 468 NH2 ARG A 28 -0.363 -12.321 7.970 1.00 0.00 N ATOM 0 H ARG A 28 -3.598 -8.786 5.297 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.616 -8.360 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.512 -10.696 4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.709 -10.737 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.409 -8.693 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.250 -8.580 5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.399 -11.021 4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.037 -9.716 5.288 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.402 -10.577 6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.778 -11.759 5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.861 -12.891 7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.287 -12.020 8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.141 -13.038 8.492 1.00 0.00 H new ATOM 482 N TYR A 29 -5.096 -10.480 3.047 1.00 0.00 N ATOM 483 CA TYR A 29 -6.116 -11.280 2.304 1.00 0.00 C ATOM 484 C TYR A 29 -6.909 -10.376 1.357 1.00 0.00 C ATOM 485 O TYR A 29 -6.764 -10.438 0.152 1.00 0.00 O ATOM 486 CB TYR A 29 -7.088 -11.910 3.298 1.00 0.00 C ATOM 487 CG TYR A 29 -6.324 -12.604 4.403 1.00 0.00 C ATOM 488 CD1 TYR A 29 -5.532 -13.721 4.113 1.00 0.00 C ATOM 489 CD2 TYR A 29 -6.410 -12.132 5.722 1.00 0.00 C ATOM 490 CE1 TYR A 29 -4.827 -14.366 5.136 1.00 0.00 C ATOM 491 CE2 TYR A 29 -5.705 -12.777 6.743 1.00 0.00 C ATOM 492 CZ TYR A 29 -4.913 -13.894 6.452 1.00 0.00 C ATOM 493 OH TYR A 29 -4.218 -14.528 7.459 1.00 0.00 O ATOM 0 H TYR A 29 -5.227 -10.449 4.058 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.604 -12.053 1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.737 -11.143 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.732 -12.625 2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.465 -14.086 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.021 -11.271 5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.217 -15.228 4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.772 -12.413 7.758 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.387 -14.072 8.310 1.00 0.00 H new ATOM 503 N ASN A 30 -7.763 -9.548 1.901 1.00 0.00 N ATOM 504 CA ASN A 30 -8.587 -8.650 1.046 1.00 0.00 C ATOM 505 C ASN A 30 -7.705 -7.551 0.450 1.00 0.00 C ATOM 506 O ASN A 30 -8.137 -6.433 0.246 1.00 0.00 O ATOM 507 CB ASN A 30 -9.705 -8.028 1.885 1.00 0.00 C ATOM 508 CG ASN A 30 -9.105 -7.261 3.066 1.00 0.00 C ATOM 509 OD1 ASN A 30 -8.355 -7.813 3.845 1.00 0.00 O ATOM 510 ND2 ASN A 30 -9.407 -6.002 3.230 1.00 0.00 N ATOM 0 H ASN A 30 -7.924 -9.457 2.904 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.029 -9.228 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.302 -7.356 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.375 -8.807 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.013 -5.481 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.037 -5.539 2.575 1.00 0.00 H new ATOM 517 N ALA A 31 -6.472 -7.865 0.162 1.00 0.00 N ATOM 518 CA ALA A 31 -5.562 -6.855 -0.432 1.00 0.00 C ATOM 519 C ALA A 31 -5.931 -6.669 -1.901 1.00 0.00 C ATOM 520 O ALA A 31 -5.409 -5.810 -2.584 1.00 0.00 O ATOM 521 CB ALA A 31 -4.122 -7.360 -0.329 1.00 0.00 C ATOM 0 H ALA A 31 -6.057 -8.784 0.315 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.654 -5.906 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.446 -6.623 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.865 -7.515 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.027 -8.302 -0.869 1.00 0.00 H new ATOM 527 N TYR A 32 -6.816 -7.488 -2.399 1.00 0.00 N ATOM 528 CA TYR A 32 -7.202 -7.378 -3.830 1.00 0.00 C ATOM 529 C TYR A 32 -7.626 -5.933 -4.148 1.00 0.00 C ATOM 530 O TYR A 32 -8.086 -5.217 -3.279 1.00 0.00 O ATOM 531 CB TYR A 32 -8.367 -8.333 -4.118 1.00 0.00 C ATOM 532 CG TYR A 32 -7.837 -9.741 -4.254 1.00 0.00 C ATOM 533 CD1 TYR A 32 -7.383 -10.424 -3.122 1.00 0.00 C ATOM 534 CD2 TYR A 32 -7.791 -10.360 -5.511 1.00 0.00 C ATOM 535 CE1 TYR A 32 -6.884 -11.724 -3.241 1.00 0.00 C ATOM 536 CE2 TYR A 32 -7.290 -11.661 -5.631 1.00 0.00 C ATOM 537 CZ TYR A 32 -6.837 -12.344 -4.497 1.00 0.00 C ATOM 538 OH TYR A 32 -6.343 -13.626 -4.614 1.00 0.00 O ATOM 0 H TYR A 32 -7.287 -8.227 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.350 -7.644 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.100 -8.284 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.879 -8.035 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.418 -9.946 -2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.142 -9.833 -6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.535 -12.251 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.253 -12.138 -6.599 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.382 -13.907 -5.552 1.00 0.00 H new ATOM 548 N PRO A 33 -7.489 -5.505 -5.388 1.00 0.00 N ATOM 549 CA PRO A 33 -7.882 -4.122 -5.798 1.00 0.00 C ATOM 550 C PRO A 33 -9.287 -3.731 -5.310 1.00 0.00 C ATOM 551 O PRO A 33 -10.251 -4.448 -5.501 1.00 0.00 O ATOM 552 CB PRO A 33 -7.849 -4.173 -7.337 1.00 0.00 C ATOM 553 CG PRO A 33 -6.890 -5.269 -7.680 1.00 0.00 C ATOM 554 CD PRO A 33 -6.931 -6.273 -6.522 1.00 0.00 C ATOM 0 HA PRO A 33 -7.215 -3.376 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.839 -4.376 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.522 -3.221 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.171 -5.749 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.883 -4.874 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.555 -7.133 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.936 -6.655 -6.292 1.00 0.00 H new ATOM 562 N SER A 34 -9.400 -2.584 -4.692 1.00 0.00 N ATOM 563 CA SER A 34 -10.726 -2.123 -4.199 1.00 0.00 C ATOM 564 C SER A 34 -10.716 -0.597 -4.063 1.00 0.00 C ATOM 565 O SER A 34 -9.733 -0.006 -3.659 1.00 0.00 O ATOM 566 CB SER A 34 -11.014 -2.766 -2.840 1.00 0.00 C ATOM 567 OG SER A 34 -9.837 -2.734 -2.046 1.00 0.00 O ATOM 0 H SER A 34 -8.626 -1.946 -4.508 1.00 0.00 H new ATOM 0 HA SER A 34 -11.503 -2.414 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.821 -2.233 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.347 -3.795 -2.975 1.00 0.00 H new ATOM 0 HG SER A 34 -9.963 -3.294 -1.252 1.00 0.00 H new ATOM 573 N GLU A 35 -11.804 0.040 -4.401 1.00 0.00 N ATOM 574 CA GLU A 35 -11.875 1.526 -4.295 1.00 0.00 C ATOM 575 C GLU A 35 -11.896 1.937 -2.822 1.00 0.00 C ATOM 576 O GLU A 35 -11.361 2.960 -2.443 1.00 0.00 O ATOM 577 CB GLU A 35 -13.153 2.014 -4.978 1.00 0.00 C ATOM 578 CG GLU A 35 -13.197 3.543 -4.951 1.00 0.00 C ATOM 579 CD GLU A 35 -14.435 4.035 -5.706 1.00 0.00 C ATOM 580 OE1 GLU A 35 -15.027 3.239 -6.417 1.00 0.00 O ATOM 581 OE2 GLU A 35 -14.768 5.198 -5.559 1.00 0.00 O ATOM 0 H GLU A 35 -12.652 -0.408 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.004 1.969 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.186 1.657 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.027 1.606 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.222 3.898 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.295 3.951 -5.407 1.00 0.00 H new ATOM 588 N GLN A 36 -12.526 1.153 -1.992 1.00 0.00 N ATOM 589 CA GLN A 36 -12.603 1.497 -0.546 1.00 0.00 C ATOM 590 C GLN A 36 -11.191 1.540 0.051 1.00 0.00 C ATOM 591 O GLN A 36 -10.857 2.424 0.816 1.00 0.00 O ATOM 592 CB GLN A 36 -13.424 0.429 0.176 1.00 0.00 C ATOM 593 CG GLN A 36 -14.885 0.503 -0.277 1.00 0.00 C ATOM 594 CD GLN A 36 -14.997 0.059 -1.738 1.00 0.00 C ATOM 595 OE1 GLN A 36 -14.353 -0.886 -2.149 1.00 0.00 O ATOM 596 NE2 GLN A 36 -15.793 0.706 -2.544 1.00 0.00 N ATOM 0 H GLN A 36 -12.993 0.285 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.074 2.473 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.018 -0.560 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.360 0.575 1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.504 -0.134 0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.259 1.521 -0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.334 1.499 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.875 0.419 -3.519 1.00 0.00 H new ATOM 605 N GLU A 37 -10.365 0.587 -0.285 1.00 0.00 N ATOM 606 CA GLU A 37 -8.979 0.563 0.264 1.00 0.00 C ATOM 607 C GLU A 37 -8.179 1.739 -0.308 1.00 0.00 C ATOM 608 O GLU A 37 -7.475 2.429 0.403 1.00 0.00 O ATOM 609 CB GLU A 37 -8.311 -0.754 -0.141 1.00 0.00 C ATOM 610 CG GLU A 37 -8.786 -1.884 0.777 1.00 0.00 C ATOM 611 CD GLU A 37 -10.312 -1.991 0.719 1.00 0.00 C ATOM 612 OE1 GLU A 37 -10.969 -1.137 1.290 1.00 0.00 O ATOM 613 OE2 GLU A 37 -10.797 -2.928 0.107 1.00 0.00 O ATOM 0 H GLU A 37 -10.591 -0.179 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.010 0.646 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.552 -0.990 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.227 -0.656 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.334 -2.828 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.464 -1.693 1.801 1.00 0.00 H new ATOM 620 N LYS A 38 -8.278 1.963 -1.587 1.00 0.00 N ATOM 621 CA LYS A 38 -7.523 3.081 -2.213 1.00 0.00 C ATOM 622 C LYS A 38 -8.009 4.415 -1.641 1.00 0.00 C ATOM 623 O LYS A 38 -7.226 5.298 -1.347 1.00 0.00 O ATOM 624 CB LYS A 38 -7.755 3.059 -3.724 1.00 0.00 C ATOM 625 CG LYS A 38 -7.051 1.846 -4.337 1.00 0.00 C ATOM 626 CD LYS A 38 -7.292 1.828 -5.849 1.00 0.00 C ATOM 627 CE LYS A 38 -6.485 0.691 -6.483 1.00 0.00 C ATOM 628 NZ LYS A 38 -6.965 -0.618 -5.958 1.00 0.00 N ATOM 0 H LYS A 38 -8.853 1.417 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.460 2.966 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.823 3.018 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.376 3.977 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.982 1.888 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.427 0.927 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.354 1.694 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.000 2.783 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.589 0.719 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.425 0.816 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.620 -1.385 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.605 -0.758 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.005 -0.626 -5.945 1.00 0.00 H new ATOM 642 N ALA A 39 -9.295 4.572 -1.492 1.00 0.00 N ATOM 643 CA ALA A 39 -9.833 5.850 -0.950 1.00 0.00 C ATOM 644 C ALA A 39 -9.436 6.000 0.519 1.00 0.00 C ATOM 645 O ALA A 39 -9.059 7.065 0.966 1.00 0.00 O ATOM 646 CB ALA A 39 -11.355 5.831 -1.059 1.00 0.00 C ATOM 0 H ALA A 39 -9.997 3.869 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.426 6.686 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.760 6.763 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.644 5.724 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.750 4.992 -0.486 1.00 0.00 H new ATOM 652 N LEU A 40 -9.537 4.946 1.278 1.00 0.00 N ATOM 653 CA LEU A 40 -9.181 5.033 2.720 1.00 0.00 C ATOM 654 C LEU A 40 -7.695 5.352 2.872 1.00 0.00 C ATOM 655 O LEU A 40 -7.306 6.201 3.650 1.00 0.00 O ATOM 656 CB LEU A 40 -9.487 3.689 3.388 1.00 0.00 C ATOM 657 CG LEU A 40 -9.195 3.758 4.913 1.00 0.00 C ATOM 658 CD1 LEU A 40 -10.275 2.990 5.688 1.00 0.00 C ATOM 659 CD2 LEU A 40 -7.825 3.132 5.233 1.00 0.00 C ATOM 0 H LEU A 40 -9.851 4.028 0.962 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.762 5.825 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.532 3.424 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.884 2.904 2.932 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.193 4.807 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.063 3.043 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.251 3.434 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.279 1.947 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.640 3.190 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.820 2.088 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.044 3.674 4.700 1.00 0.00 H new ATOM 671 N LEU A 41 -6.861 4.666 2.140 1.00 0.00 N ATOM 672 CA LEU A 41 -5.396 4.911 2.239 1.00 0.00 C ATOM 673 C LEU A 41 -5.081 6.322 1.741 1.00 0.00 C ATOM 674 O LEU A 41 -4.248 7.017 2.290 1.00 0.00 O ATOM 675 CB LEU A 41 -4.654 3.884 1.383 1.00 0.00 C ATOM 676 CG LEU A 41 -4.811 2.483 1.994 1.00 0.00 C ATOM 677 CD1 LEU A 41 -4.215 1.443 1.034 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.101 2.405 3.363 1.00 0.00 C ATOM 0 H LEU A 41 -7.134 3.943 1.474 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.077 4.817 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.047 3.893 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.598 4.146 1.319 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.871 2.278 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.324 0.447 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.740 1.486 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.158 1.657 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.223 1.405 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.040 2.617 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.538 3.137 4.042 1.00 0.00 H new ATOM 690 N SER A 42 -5.737 6.743 0.697 1.00 0.00 N ATOM 691 CA SER A 42 -5.479 8.100 0.146 1.00 0.00 C ATOM 692 C SER A 42 -5.772 9.158 1.211 1.00 0.00 C ATOM 693 O SER A 42 -5.013 10.087 1.402 1.00 0.00 O ATOM 694 CB SER A 42 -6.387 8.321 -1.060 1.00 0.00 C ATOM 695 OG SER A 42 -6.419 9.705 -1.378 1.00 0.00 O ATOM 0 H SER A 42 -6.444 6.202 0.200 1.00 0.00 H new ATOM 0 HA SER A 42 -4.435 8.183 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.023 7.749 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.393 7.963 -0.842 1.00 0.00 H new ATOM 0 HG SER A 42 -7.001 9.849 -2.154 1.00 0.00 H new ATOM 701 N GLN A 43 -6.868 9.027 1.907 1.00 0.00 N ATOM 702 CA GLN A 43 -7.207 10.023 2.960 1.00 0.00 C ATOM 703 C GLN A 43 -6.199 9.916 4.105 1.00 0.00 C ATOM 704 O GLN A 43 -5.778 10.905 4.673 1.00 0.00 O ATOM 705 CB GLN A 43 -8.612 9.737 3.492 1.00 0.00 C ATOM 706 CG GLN A 43 -9.645 9.953 2.383 1.00 0.00 C ATOM 707 CD GLN A 43 -9.674 11.430 1.984 1.00 0.00 C ATOM 708 OE1 GLN A 43 -9.793 12.295 2.828 1.00 0.00 O ATOM 709 NE2 GLN A 43 -9.573 11.756 0.725 1.00 0.00 N ATOM 0 H GLN A 43 -7.544 8.272 1.791 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.173 11.027 2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.669 8.712 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.830 10.391 4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.398 9.338 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.631 9.640 2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.473 11.029 0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.594 12.738 0.449 1.00 0.00 H new ATOM 718 N GLN A 44 -5.820 8.719 4.458 1.00 0.00 N ATOM 719 CA GLN A 44 -4.849 8.540 5.573 1.00 0.00 C ATOM 720 C GLN A 44 -3.486 9.113 5.175 1.00 0.00 C ATOM 721 O GLN A 44 -2.822 9.761 5.960 1.00 0.00 O ATOM 722 CB GLN A 44 -4.699 7.046 5.872 1.00 0.00 C ATOM 723 CG GLN A 44 -3.828 6.854 7.117 1.00 0.00 C ATOM 724 CD GLN A 44 -3.621 5.359 7.377 1.00 0.00 C ATOM 725 OE1 GLN A 44 -3.357 4.602 6.464 1.00 0.00 O ATOM 726 NE2 GLN A 44 -3.729 4.902 8.595 1.00 0.00 N ATOM 0 H GLN A 44 -6.142 7.855 4.021 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.214 9.063 6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.679 6.596 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.249 6.538 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.865 7.345 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.303 7.321 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.951 5.538 9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.592 3.909 8.781 1.00 0.00 H new ATOM 735 N THR A 45 -3.056 8.869 3.964 1.00 0.00 N ATOM 736 CA THR A 45 -1.736 9.379 3.513 1.00 0.00 C ATOM 737 C THR A 45 -1.903 10.744 2.861 1.00 0.00 C ATOM 738 O THR A 45 -2.997 11.179 2.555 1.00 0.00 O ATOM 739 CB THR A 45 -1.134 8.399 2.503 1.00 0.00 C ATOM 740 OG1 THR A 45 -2.129 8.018 1.562 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.619 7.159 3.237 1.00 0.00 C ATOM 0 H THR A 45 -3.571 8.333 3.265 1.00 0.00 H new ATOM 0 HA THR A 45 -1.073 9.474 4.373 1.00 0.00 H new ATOM 0 HB THR A 45 -0.306 8.878 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.688 7.311 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.191 6.462 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.145 7.453 3.956 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.444 6.678 3.761 1.00 0.00 H new ATOM 749 N HIS A 46 -0.811 11.417 2.644 1.00 0.00 N ATOM 750 CA HIS A 46 -0.857 12.760 2.002 1.00 0.00 C ATOM 751 C HIS A 46 -0.571 12.606 0.505 1.00 0.00 C ATOM 752 O HIS A 46 -0.260 13.559 -0.183 1.00 0.00 O ATOM 753 CB HIS A 46 0.197 13.666 2.650 1.00 0.00 C ATOM 754 CG HIS A 46 1.584 13.158 2.343 1.00 0.00 C ATOM 755 ND1 HIS A 46 2.127 12.051 2.978 1.00 0.00 N ATOM 756 CD2 HIS A 46 2.556 13.611 1.485 1.00 0.00 C ATOM 757 CE1 HIS A 46 3.372 11.879 2.497 1.00 0.00 C ATOM 758 NE2 HIS A 46 3.684 12.801 1.584 1.00 0.00 N ATOM 0 H HIS A 46 0.124 11.091 2.887 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.842 13.208 2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.086 14.686 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.045 13.699 3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.460 14.466 0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.039 11.090 2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.560 12.893 1.070 1.00 0.00 H new ATOM 766 N LEU A 47 -0.666 11.401 0.000 1.00 0.00 N ATOM 767 CA LEU A 47 -0.394 11.158 -1.448 1.00 0.00 C ATOM 768 C LEU A 47 -1.705 11.149 -2.234 1.00 0.00 C ATOM 769 O LEU A 47 -2.773 10.963 -1.686 1.00 0.00 O ATOM 770 CB LEU A 47 0.303 9.807 -1.609 1.00 0.00 C ATOM 771 CG LEU A 47 1.601 9.796 -0.793 1.00 0.00 C ATOM 772 CD1 LEU A 47 2.258 8.421 -0.918 1.00 0.00 C ATOM 773 CD2 LEU A 47 2.566 10.878 -1.314 1.00 0.00 C ATOM 0 H LEU A 47 -0.922 10.570 0.534 1.00 0.00 H new ATOM 0 HA LEU A 47 0.245 11.954 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.355 9.005 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.521 9.622 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 47 1.371 10.004 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.182 8.405 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.579 7.658 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.482 8.218 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.484 10.860 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.801 10.683 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.097 11.858 -1.224 1.00 0.00 H new ATOM 785 N SER A 48 -1.623 11.362 -3.517 1.00 0.00 N ATOM 786 CA SER A 48 -2.850 11.386 -4.357 1.00 0.00 C ATOM 787 C SER A 48 -3.368 9.962 -4.588 1.00 0.00 C ATOM 788 O SER A 48 -2.694 8.986 -4.323 1.00 0.00 O ATOM 789 CB SER A 48 -2.518 12.027 -5.702 1.00 0.00 C ATOM 790 OG SER A 48 -1.349 11.419 -6.236 1.00 0.00 O ATOM 0 H SER A 48 -0.752 11.522 -4.023 1.00 0.00 H new ATOM 0 HA SER A 48 -3.622 11.961 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.353 11.905 -6.392 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.361 13.098 -5.578 1.00 0.00 H new ATOM 0 HG SER A 48 -0.555 11.886 -5.902 1.00 0.00 H new ATOM 796 N THR A 49 -4.569 9.849 -5.084 1.00 0.00 N ATOM 797 CA THR A 49 -5.159 8.509 -5.349 1.00 0.00 C ATOM 798 C THR A 49 -4.313 7.769 -6.388 1.00 0.00 C ATOM 799 O THR A 49 -4.056 6.587 -6.270 1.00 0.00 O ATOM 800 CB THR A 49 -6.579 8.688 -5.887 1.00 0.00 C ATOM 801 OG1 THR A 49 -7.289 9.591 -5.049 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.295 7.340 -5.909 1.00 0.00 C ATOM 0 H THR A 49 -5.172 10.637 -5.319 1.00 0.00 H new ATOM 0 HA THR A 49 -5.181 7.930 -4.426 1.00 0.00 H new ATOM 0 HB THR A 49 -6.536 9.087 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.199 9.709 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.307 7.472 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.750 6.649 -6.552 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.340 6.936 -4.898 1.00 0.00 H new ATOM 810 N LEU A 50 -3.892 8.454 -7.416 1.00 0.00 N ATOM 811 CA LEU A 50 -3.078 7.794 -8.475 1.00 0.00 C ATOM 812 C LEU A 50 -1.766 7.278 -7.876 1.00 0.00 C ATOM 813 O LEU A 50 -1.326 6.183 -8.169 1.00 0.00 O ATOM 814 CB LEU A 50 -2.771 8.822 -9.567 1.00 0.00 C ATOM 815 CG LEU A 50 -3.975 8.971 -10.509 1.00 0.00 C ATOM 816 CD1 LEU A 50 -4.178 7.692 -11.352 1.00 0.00 C ATOM 817 CD2 LEU A 50 -5.232 9.261 -9.678 1.00 0.00 C ATOM 0 H LEU A 50 -4.078 9.445 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.630 6.953 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.533 9.784 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.893 8.511 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.788 9.798 -11.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.037 7.823 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.286 7.505 -11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.355 6.844 -10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.090 9.368 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.409 8.438 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.091 10.184 -9.115 1.00 0.00 H new ATOM 829 N GLN A 51 -1.137 8.058 -7.044 1.00 0.00 N ATOM 830 CA GLN A 51 0.144 7.613 -6.435 1.00 0.00 C ATOM 831 C GLN A 51 -0.107 6.396 -5.542 1.00 0.00 C ATOM 832 O GLN A 51 0.603 5.411 -5.601 1.00 0.00 O ATOM 833 CB GLN A 51 0.714 8.756 -5.600 1.00 0.00 C ATOM 834 CG GLN A 51 1.218 9.865 -6.526 1.00 0.00 C ATOM 835 CD GLN A 51 1.694 11.053 -5.687 1.00 0.00 C ATOM 836 OE1 GLN A 51 0.911 11.683 -5.005 1.00 0.00 O ATOM 837 NE2 GLN A 51 2.956 11.387 -5.708 1.00 0.00 N ATOM 0 H GLN A 51 -1.455 8.984 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 51 0.852 7.338 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.051 9.147 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.529 8.392 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.034 9.493 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.422 10.179 -7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.614 10.858 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.284 12.177 -5.152 1.00 0.00 H new ATOM 846 N VAL A 52 -1.112 6.458 -4.715 1.00 0.00 N ATOM 847 CA VAL A 52 -1.415 5.310 -3.816 1.00 0.00 C ATOM 848 C VAL A 52 -1.883 4.113 -4.647 1.00 0.00 C ATOM 849 O VAL A 52 -1.495 2.989 -4.404 1.00 0.00 O ATOM 850 CB VAL A 52 -2.514 5.714 -2.834 1.00 0.00 C ATOM 851 CG1 VAL A 52 -2.933 4.499 -2.001 1.00 0.00 C ATOM 852 CG2 VAL A 52 -1.988 6.812 -1.906 1.00 0.00 C ATOM 0 H VAL A 52 -1.739 7.257 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.516 5.033 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.376 6.086 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.717 4.790 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.308 3.717 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.073 4.124 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.771 7.102 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.126 6.439 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.693 7.678 -2.498 1.00 0.00 H new ATOM 862 N CYS A 53 -2.731 4.342 -5.612 1.00 0.00 N ATOM 863 CA CYS A 53 -3.237 3.215 -6.446 1.00 0.00 C ATOM 864 C CYS A 53 -2.073 2.559 -7.195 1.00 0.00 C ATOM 865 O CYS A 53 -1.908 1.354 -7.169 1.00 0.00 O ATOM 866 CB CYS A 53 -4.252 3.755 -7.453 1.00 0.00 C ATOM 867 SG CYS A 53 -4.704 2.446 -8.616 1.00 0.00 S ATOM 0 H CYS A 53 -3.096 5.262 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.712 2.472 -5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.139 4.116 -6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.830 4.604 -7.991 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.569 2.905 -9.471 1.00 0.00 H new ATOM 873 N ASN A 54 -1.263 3.337 -7.862 1.00 0.00 N ATOM 874 CA ASN A 54 -0.112 2.750 -8.605 1.00 0.00 C ATOM 875 C ASN A 54 0.853 2.103 -7.607 1.00 0.00 C ATOM 876 O ASN A 54 1.370 1.025 -7.834 1.00 0.00 O ATOM 877 CB ASN A 54 0.612 3.864 -9.370 1.00 0.00 C ATOM 878 CG ASN A 54 -0.156 4.198 -10.651 1.00 0.00 C ATOM 879 OD1 ASN A 54 0.182 3.723 -11.717 1.00 0.00 O ATOM 880 ND2 ASN A 54 -1.187 4.997 -10.590 1.00 0.00 N ATOM 0 H ASN A 54 -1.349 4.351 -7.924 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.468 1.997 -9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.696 4.752 -8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.626 3.549 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.708 5.222 -11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.471 5.396 -9.695 1.00 0.00 H new ATOM 887 N TRP A 55 1.094 2.756 -6.506 1.00 0.00 N ATOM 888 CA TRP A 55 2.015 2.193 -5.481 1.00 0.00 C ATOM 889 C TRP A 55 1.400 0.919 -4.902 1.00 0.00 C ATOM 890 O TRP A 55 2.077 -0.051 -4.643 1.00 0.00 O ATOM 891 CB TRP A 55 2.214 3.221 -4.367 1.00 0.00 C ATOM 892 CG TRP A 55 3.086 2.641 -3.299 1.00 0.00 C ATOM 893 CD1 TRP A 55 4.425 2.799 -3.217 1.00 0.00 C ATOM 894 CD2 TRP A 55 2.701 1.806 -2.168 1.00 0.00 C ATOM 895 NE1 TRP A 55 4.888 2.126 -2.101 1.00 0.00 N ATOM 896 CE2 TRP A 55 3.864 1.494 -1.424 1.00 0.00 C ATOM 897 CE3 TRP A 55 1.470 1.297 -1.722 1.00 0.00 C ATOM 898 CZ2 TRP A 55 3.805 0.704 -0.275 1.00 0.00 C ATOM 899 CZ3 TRP A 55 1.407 0.499 -0.567 1.00 0.00 C ATOM 900 CH2 TRP A 55 2.574 0.203 0.154 1.00 0.00 C ATOM 0 H TRP A 55 0.690 3.662 -6.270 1.00 0.00 H new ATOM 0 HA TRP A 55 2.978 1.958 -5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.669 4.126 -4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.250 3.509 -3.947 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.035 3.360 -3.910 1.00 0.00 H new ATOM 0 HE1 TRP A 55 5.866 2.100 -1.813 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.567 1.520 -2.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.705 0.482 0.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.456 0.112 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.520 -0.412 1.040 1.00 0.00 H new ATOM 911 N PHE A 56 0.114 0.927 -4.688 1.00 0.00 N ATOM 912 CA PHE A 56 -0.570 -0.269 -4.120 1.00 0.00 C ATOM 913 C PHE A 56 -0.403 -1.455 -5.074 1.00 0.00 C ATOM 914 O PHE A 56 -0.128 -2.563 -4.661 1.00 0.00 O ATOM 915 CB PHE A 56 -2.058 0.043 -3.944 1.00 0.00 C ATOM 916 CG PHE A 56 -2.729 -1.089 -3.201 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.460 -1.283 -1.841 1.00 0.00 C ATOM 918 CD2 PHE A 56 -3.620 -1.941 -3.866 1.00 0.00 C ATOM 919 CE1 PHE A 56 -3.080 -2.327 -1.146 1.00 0.00 C ATOM 920 CE2 PHE A 56 -4.241 -2.987 -3.170 1.00 0.00 C ATOM 921 CZ PHE A 56 -3.970 -3.179 -1.810 1.00 0.00 C ATOM 0 H PHE A 56 -0.499 1.719 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.131 -0.521 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.182 0.976 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.528 0.182 -4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.773 -0.626 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.828 -1.792 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.872 -2.476 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.928 -3.644 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.448 -3.985 -1.273 1.00 0.00 H new ATOM 931 N ILE A 57 -0.584 -1.230 -6.347 1.00 0.00 N ATOM 932 CA ILE A 57 -0.453 -2.340 -7.333 1.00 0.00 C ATOM 933 C ILE A 57 0.988 -2.868 -7.327 1.00 0.00 C ATOM 934 O ILE A 57 1.224 -4.061 -7.339 1.00 0.00 O ATOM 935 CB ILE A 57 -0.786 -1.802 -8.727 1.00 0.00 C ATOM 936 CG1 ILE A 57 -2.268 -1.421 -8.789 1.00 0.00 C ATOM 937 CG2 ILE A 57 -0.494 -2.876 -9.778 1.00 0.00 C ATOM 938 CD1 ILE A 57 -2.537 -0.617 -10.065 1.00 0.00 C ATOM 0 H ILE A 57 -0.818 -0.322 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.134 -3.149 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.174 -0.922 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.886 -2.319 -8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.540 -0.833 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.732 -2.490 -10.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.561 -3.147 -9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.103 -3.757 -9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.592 -0.346 -10.109 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.930 0.288 -10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.281 -1.220 -10.936 1.00 0.00 H new ATOM 950 N ASN A 58 1.950 -1.985 -7.323 1.00 0.00 N ATOM 951 CA ASN A 58 3.377 -2.422 -7.330 1.00 0.00 C ATOM 952 C ASN A 58 3.771 -2.956 -5.948 1.00 0.00 C ATOM 953 O ASN A 58 4.304 -4.041 -5.815 1.00 0.00 O ATOM 954 CB ASN A 58 4.250 -1.217 -7.674 1.00 0.00 C ATOM 955 CG ASN A 58 5.667 -1.681 -8.011 1.00 0.00 C ATOM 956 OD1 ASN A 58 5.855 -2.713 -8.623 1.00 0.00 O ATOM 957 ND2 ASN A 58 6.683 -0.952 -7.634 1.00 0.00 N ATOM 0 H ASN A 58 1.809 -0.975 -7.315 1.00 0.00 H new ATOM 0 HA ASN A 58 3.515 -3.214 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.824 -0.678 -8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.275 -0.523 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.634 -1.250 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.526 -0.085 -7.120 1.00 0.00 H new ATOM 964 N ALA A 59 3.517 -2.195 -4.922 1.00 0.00 N ATOM 965 CA ALA A 59 3.876 -2.633 -3.546 1.00 0.00 C ATOM 966 C ALA A 59 3.175 -3.953 -3.227 1.00 0.00 C ATOM 967 O ALA A 59 3.779 -4.886 -2.743 1.00 0.00 O ATOM 968 CB ALA A 59 3.421 -1.563 -2.555 1.00 0.00 C ATOM 0 H ALA A 59 3.072 -1.279 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 59 4.954 -2.775 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.678 -1.872 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.918 -0.620 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.342 -1.432 -2.631 1.00 0.00 H new ATOM 974 N ARG A 60 1.902 -4.031 -3.490 1.00 0.00 N ATOM 975 CA ARG A 60 1.156 -5.286 -3.201 1.00 0.00 C ATOM 976 C ARG A 60 1.741 -6.429 -4.030 1.00 0.00 C ATOM 977 O ARG A 60 1.922 -7.530 -3.551 1.00 0.00 O ATOM 978 CB ARG A 60 -0.316 -5.088 -3.570 1.00 0.00 C ATOM 979 CG ARG A 60 -1.117 -6.341 -3.203 1.00 0.00 C ATOM 980 CD ARG A 60 -2.590 -6.137 -3.570 1.00 0.00 C ATOM 981 NE ARG A 60 -2.720 -5.947 -5.045 1.00 0.00 N ATOM 982 CZ ARG A 60 -2.809 -6.980 -5.842 1.00 0.00 C ATOM 983 NH1 ARG A 60 -2.767 -8.191 -5.357 1.00 0.00 N ATOM 984 NH2 ARG A 60 -2.941 -6.798 -7.127 1.00 0.00 N ATOM 0 H ARG A 60 1.344 -3.278 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 60 1.240 -5.529 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.718 -4.222 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.409 -4.886 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.717 -7.207 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.023 -6.545 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.177 -6.999 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.988 -5.269 -3.045 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.740 -5.004 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.664 -8.335 -4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.837 -8.994 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.974 -5.852 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.011 -7.602 -7.751 1.00 0.00 H new ATOM 998 N ARG A 61 2.023 -6.178 -5.276 1.00 0.00 N ATOM 999 CA ARG A 61 2.577 -7.246 -6.155 1.00 0.00 C ATOM 1000 C ARG A 61 3.970 -7.662 -5.671 1.00 0.00 C ATOM 1001 O ARG A 61 4.470 -8.700 -6.051 1.00 0.00 O ATOM 1002 CB ARG A 61 2.668 -6.712 -7.587 1.00 0.00 C ATOM 1003 CG ARG A 61 3.146 -7.819 -8.533 1.00 0.00 C ATOM 1004 CD ARG A 61 3.085 -7.318 -9.980 1.00 0.00 C ATOM 1005 NE ARG A 61 1.664 -7.080 -10.362 1.00 0.00 N ATOM 1006 CZ ARG A 61 1.370 -6.398 -11.440 1.00 0.00 C ATOM 1007 NH1 ARG A 61 2.317 -5.910 -12.192 1.00 0.00 N ATOM 1008 NH2 ARG A 61 0.120 -6.206 -11.762 1.00 0.00 N ATOM 0 H ARG A 61 1.893 -5.273 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 61 1.922 -8.117 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.694 -6.344 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.356 -5.868 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.165 -8.112 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.522 -8.705 -8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.660 -6.397 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.535 -8.051 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 61 0.914 -7.452 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.295 -6.059 -11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.080 -5.380 -13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.622 -6.587 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.115 -5.675 -12.601 1.00 0.00 H new ATOM 1022 N ARG A 62 4.605 -6.857 -4.851 1.00 0.00 N ATOM 1023 CA ARG A 62 5.978 -7.201 -4.349 1.00 0.00 C ATOM 1024 C ARG A 62 5.924 -7.580 -2.863 1.00 0.00 C ATOM 1025 O ARG A 62 6.842 -8.174 -2.333 1.00 0.00 O ATOM 1026 CB ARG A 62 6.889 -5.986 -4.528 1.00 0.00 C ATOM 1027 CG ARG A 62 7.049 -5.682 -6.020 1.00 0.00 C ATOM 1028 CD ARG A 62 7.966 -4.469 -6.201 1.00 0.00 C ATOM 1029 NE ARG A 62 7.297 -3.255 -5.654 1.00 0.00 N ATOM 1030 CZ ARG A 62 7.940 -2.120 -5.590 1.00 0.00 C ATOM 1031 NH1 ARG A 62 9.172 -2.038 -6.010 1.00 0.00 N ATOM 1032 NH2 ARG A 62 7.346 -1.062 -5.106 1.00 0.00 N ATOM 0 H ARG A 62 4.231 -5.973 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 62 6.364 -8.049 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.467 -5.123 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.863 -6.180 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.467 -6.547 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.075 -5.485 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.914 -4.637 -5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.195 -4.327 -7.257 1.00 0.00 H new ATOM 0 HE ARG A 62 6.332 -3.311 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.637 -2.862 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.670 -1.150 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.382 -1.123 -4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.846 -0.175 -5.055 1.00 0.00 H new ATOM 1046 N LEU A 63 4.864 -7.227 -2.182 1.00 0.00 N ATOM 1047 CA LEU A 63 4.754 -7.548 -0.723 1.00 0.00 C ATOM 1048 C LEU A 63 3.962 -8.840 -0.504 1.00 0.00 C ATOM 1049 O LEU A 63 4.331 -9.675 0.300 1.00 0.00 O ATOM 1050 CB LEU A 63 4.035 -6.394 -0.021 1.00 0.00 C ATOM 1051 CG LEU A 63 4.958 -5.164 0.034 1.00 0.00 C ATOM 1052 CD1 LEU A 63 4.148 -3.943 0.488 1.00 0.00 C ATOM 1053 CD2 LEU A 63 6.129 -5.406 1.014 1.00 0.00 C ATOM 0 H LEU A 63 4.065 -6.728 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 63 5.755 -7.685 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.116 -6.148 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.749 -6.691 0.988 1.00 0.00 H new ATOM 0 HG LEU A 63 5.370 -4.986 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.799 -3.069 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.338 -3.760 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.731 -4.131 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.770 -4.525 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.735 -5.596 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.709 -6.268 0.683 1.00 0.00 H new ATOM 1065 N LEU A 64 2.868 -9.004 -1.192 1.00 0.00 N ATOM 1066 CA LEU A 64 2.040 -10.230 -0.997 1.00 0.00 C ATOM 1067 C LEU A 64 2.868 -11.502 -1.249 1.00 0.00 C ATOM 1068 O LEU A 64 2.786 -12.448 -0.493 1.00 0.00 O ATOM 1069 CB LEU A 64 0.820 -10.180 -1.950 1.00 0.00 C ATOM 1070 CG LEU A 64 -0.487 -10.447 -1.177 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.839 -9.244 -0.279 1.00 0.00 C ATOM 1072 CD2 LEU A 64 -1.623 -10.701 -2.179 1.00 0.00 C ATOM 0 H LEU A 64 2.510 -8.343 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 64 1.693 -10.261 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.770 -9.204 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.939 -10.921 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.353 -11.323 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.764 -9.450 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.033 -9.075 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.968 -8.355 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.550 -10.890 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.748 -9.826 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.379 -11.567 -2.794 1.00 0.00 H new ATOM 1084 N PRO A 65 3.633 -11.550 -2.306 1.00 0.00 N ATOM 1085 CA PRO A 65 4.439 -12.764 -2.629 1.00 0.00 C ATOM 1086 C PRO A 65 5.341 -13.177 -1.457 1.00 0.00 C ATOM 1087 O PRO A 65 5.445 -14.337 -1.114 1.00 0.00 O ATOM 1088 CB PRO A 65 5.285 -12.340 -3.842 1.00 0.00 C ATOM 1089 CG PRO A 65 4.580 -11.159 -4.437 1.00 0.00 C ATOM 1090 CD PRO A 65 3.830 -10.475 -3.291 1.00 0.00 C ATOM 0 HA PRO A 65 3.808 -13.630 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.299 -12.079 -3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.367 -13.152 -4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.292 -10.474 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.889 -11.474 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.407 -9.650 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.879 -10.061 -3.627 1.00 0.00 H new