USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 Single : A 13 LYS NZ :NH3+ -174:sc= -1.43 (180deg=-1.65) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.4!) USER MOD Single : A 26 TYR OH : rot 34:sc= -0.0743 USER MOD Single : A 27 MET CE :methyl -155:sc= -0.589 (180deg=-1.87) USER MOD Single : A 30 SER OG : rot 180:sc= -0.144 USER MOD Single : A 34 ASN : amide:sc= -5.55! C(o=-5.6!,f=-12!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -157:sc= 0 (180deg=-0.909) USER MOD Single : A 42 SER OG : rot 93:sc= 0.317 USER MOD Single : A 44 TYR OH : rot 165:sc= -3.21! USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 0.0128 (180deg=0) USER MOD Single : A 47 TYR OH : rot -13:sc= -0.19 USER MOD Single : A 49 SER OG : rot 11:sc= 0.943 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.184) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.392 F(o=-1.2,f=-0.39) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 110:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.479 -0.860 11.947 1.00 0.00 N ATOM 193 CA LYS A 13 1.499 -1.381 10.584 1.00 0.00 C ATOM 194 C LYS A 13 0.468 -0.654 9.724 1.00 0.00 C ATOM 195 O LYS A 13 -0.595 -0.269 10.210 1.00 0.00 O ATOM 196 CB LYS A 13 1.210 -2.888 10.595 1.00 0.00 C ATOM 197 CG LYS A 13 1.017 -3.502 9.213 1.00 0.00 C ATOM 198 CD LYS A 13 2.326 -4.043 8.659 1.00 0.00 C ATOM 199 CE LYS A 13 2.562 -5.481 9.090 1.00 0.00 C ATOM 200 NZ LYS A 13 2.487 -5.638 10.569 1.00 0.00 N ATOM 0 HA LYS A 13 2.488 -1.213 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.032 -3.400 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.314 -3.070 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.284 -4.307 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.615 -2.752 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.313 -3.986 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.152 -3.420 9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.822 -6.127 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.541 -5.809 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.753 -6.609 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.139 -4.967 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.516 -5.448 10.890 1.00 0.00 H new ATOM 214 N PRO A 14 0.778 -0.439 8.431 1.00 0.00 N ATOM 215 CA PRO A 14 -0.123 0.265 7.515 1.00 0.00 C ATOM 216 C PRO A 14 -1.465 -0.436 7.380 1.00 0.00 C ATOM 217 O PRO A 14 -1.593 -1.623 7.681 1.00 0.00 O ATOM 218 CB PRO A 14 0.626 0.240 6.176 1.00 0.00 C ATOM 219 CG PRO A 14 2.052 0.017 6.537 1.00 0.00 C ATOM 220 CD PRO A 14 2.034 -0.839 7.769 1.00 0.00 C ATOM 0 HA PRO A 14 -0.354 1.270 7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.253 -0.555 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.498 1.177 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.588 -0.476 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.560 0.963 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.040 -1.901 7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.901 -0.653 8.403 1.00 0.00 H new ATOM 228 N VAL A 15 -2.469 0.310 6.937 1.00 0.00 N ATOM 229 CA VAL A 15 -3.806 -0.234 6.777 1.00 0.00 C ATOM 230 C VAL A 15 -3.886 -1.174 5.576 1.00 0.00 C ATOM 231 O VAL A 15 -3.695 -0.761 4.424 1.00 0.00 O ATOM 232 CB VAL A 15 -4.855 0.886 6.635 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.758 1.855 7.807 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.694 1.618 5.311 1.00 0.00 C ATOM 0 H VAL A 15 -2.380 1.294 6.683 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.026 -0.805 7.679 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.846 0.431 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.505 2.640 7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.936 1.318 8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.764 2.301 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.446 2.403 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.700 2.062 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.821 0.914 4.488 1.00 0.00 H new ATOM 244 N LYS A 16 -4.172 -2.441 5.865 1.00 0.00 N ATOM 245 CA LYS A 16 -4.290 -3.464 4.835 1.00 0.00 C ATOM 246 C LYS A 16 -5.735 -3.943 4.737 1.00 0.00 C ATOM 247 O LYS A 16 -6.457 -3.963 5.734 1.00 0.00 O ATOM 248 CB LYS A 16 -3.365 -4.645 5.147 1.00 0.00 C ATOM 249 CG LYS A 16 -3.629 -5.292 6.496 1.00 0.00 C ATOM 250 CD LYS A 16 -3.471 -6.801 6.424 1.00 0.00 C ATOM 251 CE LYS A 16 -2.424 -7.300 7.404 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.387 -8.787 7.470 1.00 0.00 N ATOM 0 H LYS A 16 -4.327 -2.784 6.813 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.994 -3.032 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.476 -5.397 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.331 -4.302 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.940 -4.887 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.637 -5.045 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.427 -7.278 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.190 -7.090 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.444 -6.926 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.634 -6.898 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.659 -9.086 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.315 -9.144 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.161 -9.171 6.530 1.00 0.00 H new ATOM 266 N PHE A 17 -6.158 -4.320 3.536 1.00 0.00 N ATOM 267 CA PHE A 17 -7.523 -4.787 3.328 1.00 0.00 C ATOM 268 C PHE A 17 -7.590 -5.843 2.232 1.00 0.00 C ATOM 269 O PHE A 17 -6.633 -6.042 1.488 1.00 0.00 O ATOM 270 CB PHE A 17 -8.431 -3.611 2.964 1.00 0.00 C ATOM 271 CG PHE A 17 -7.874 -2.745 1.868 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.283 -1.527 2.162 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.941 -3.149 0.542 1.00 0.00 C ATOM 274 CE1 PHE A 17 -6.769 -0.730 1.160 1.00 0.00 C ATOM 275 CE2 PHE A 17 -7.428 -2.355 -0.466 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.841 -1.142 -0.156 1.00 0.00 C ATOM 0 H PHE A 17 -5.579 -4.312 2.696 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.865 -5.240 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.404 -3.994 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.596 -3.000 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.224 -1.197 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.399 -4.095 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.310 0.216 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.485 -2.681 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.440 -0.518 -0.941 1.00 0.00 H new ATOM 286 N GLN A 18 -8.734 -6.509 2.135 1.00 0.00 N ATOM 287 CA GLN A 18 -8.939 -7.538 1.125 1.00 0.00 C ATOM 288 C GLN A 18 -9.796 -6.997 -0.012 1.00 0.00 C ATOM 289 O GLN A 18 -10.872 -6.446 0.221 1.00 0.00 O ATOM 290 CB GLN A 18 -9.603 -8.769 1.744 1.00 0.00 C ATOM 291 CG GLN A 18 -9.240 -10.069 1.047 1.00 0.00 C ATOM 292 CD GLN A 18 -10.451 -10.922 0.733 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.458 -10.431 0.221 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.361 -12.210 1.042 1.00 0.00 N ATOM 0 H GLN A 18 -9.536 -6.354 2.746 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.968 -7.830 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.317 -8.837 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.685 -8.641 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.709 -9.844 0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.555 -10.636 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.507 -12.575 1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.145 -12.835 0.856 1.00 0.00 H new ATOM 303 N LEU A 19 -9.315 -7.148 -1.241 1.00 0.00 N ATOM 304 CA LEU A 19 -10.047 -6.660 -2.406 1.00 0.00 C ATOM 305 C LEU A 19 -10.649 -7.809 -3.212 1.00 0.00 C ATOM 306 O LEU A 19 -11.620 -7.619 -3.945 1.00 0.00 O ATOM 307 CB LEU A 19 -9.132 -5.812 -3.295 1.00 0.00 C ATOM 308 CG LEU A 19 -9.371 -4.301 -3.224 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.549 -3.582 -4.281 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.850 -3.984 -3.393 1.00 0.00 C ATOM 0 H LEU A 19 -8.427 -7.601 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.867 -6.039 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.097 -6.013 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.256 -6.135 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.055 -3.949 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.731 -2.509 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.490 -3.781 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.835 -3.939 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.999 -2.906 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.192 -4.350 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.419 -4.469 -2.600 1.00 0.00 H new ATOM 322 N GLU A 20 -10.072 -8.999 -3.078 1.00 0.00 N ATOM 323 CA GLU A 20 -10.563 -10.166 -3.803 1.00 0.00 C ATOM 324 C GLU A 20 -10.867 -11.321 -2.854 1.00 0.00 C ATOM 325 O GLU A 20 -10.167 -11.528 -1.864 1.00 0.00 O ATOM 326 CB GLU A 20 -9.543 -10.605 -4.854 1.00 0.00 C ATOM 327 CG GLU A 20 -9.767 -9.975 -6.218 1.00 0.00 C ATOM 328 CD GLU A 20 -10.672 -10.808 -7.105 1.00 0.00 C ATOM 329 OE1 GLU A 20 -11.708 -11.294 -6.605 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.345 -10.973 -8.299 1.00 0.00 O ATOM 0 H GLU A 20 -9.268 -9.180 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.491 -9.884 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.542 -10.351 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.580 -11.690 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.203 -8.984 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.806 -9.838 -6.713 1.00 0.00 H new ATOM 337 N ASP A 21 -11.917 -12.071 -3.172 1.00 0.00 N ATOM 338 CA ASP A 21 -12.335 -13.213 -2.362 1.00 0.00 C ATOM 339 C ASP A 21 -11.266 -14.306 -2.320 1.00 0.00 C ATOM 340 O ASP A 21 -11.359 -15.241 -1.526 1.00 0.00 O ATOM 341 CB ASP A 21 -13.644 -13.791 -2.902 1.00 0.00 C ATOM 342 CG ASP A 21 -14.863 -13.197 -2.222 1.00 0.00 C ATOM 343 OD1 ASP A 21 -15.354 -13.807 -1.249 1.00 0.00 O ATOM 344 OD2 ASP A 21 -15.323 -12.123 -2.661 1.00 0.00 O ATOM 0 H ASP A 21 -12.500 -11.907 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.484 -12.853 -1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.704 -13.607 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.645 -14.872 -2.764 1.00 0.00 H new ATOM 349 N ASP A 22 -10.260 -14.198 -3.187 1.00 0.00 N ATOM 350 CA ASP A 22 -9.196 -15.195 -3.246 1.00 0.00 C ATOM 351 C ASP A 22 -8.140 -14.969 -2.163 1.00 0.00 C ATOM 352 O ASP A 22 -7.147 -15.694 -2.098 1.00 0.00 O ATOM 353 CB ASP A 22 -8.533 -15.176 -4.625 1.00 0.00 C ATOM 354 CG ASP A 22 -9.438 -15.732 -5.708 1.00 0.00 C ATOM 355 OD1 ASP A 22 -10.069 -14.928 -6.424 1.00 0.00 O ATOM 356 OD2 ASP A 22 -9.513 -16.972 -5.838 1.00 0.00 O ATOM 0 H ASP A 22 -10.161 -13.433 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.652 -16.169 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.255 -14.153 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.612 -15.758 -4.591 1.00 0.00 H new ATOM 361 N GLY A 23 -8.361 -13.975 -1.304 1.00 0.00 N ATOM 362 CA GLY A 23 -7.417 -13.702 -0.234 1.00 0.00 C ATOM 363 C GLY A 23 -6.420 -12.610 -0.575 1.00 0.00 C ATOM 364 O GLY A 23 -5.438 -12.420 0.143 1.00 0.00 O ATOM 0 H GLY A 23 -9.172 -13.358 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.967 -13.415 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.875 -14.617 0.005 1.00 0.00 H new ATOM 368 N GLU A 24 -6.664 -11.888 -1.665 1.00 0.00 N ATOM 369 CA GLU A 24 -5.766 -10.815 -2.076 1.00 0.00 C ATOM 370 C GLU A 24 -5.854 -9.639 -1.110 1.00 0.00 C ATOM 371 O GLU A 24 -6.904 -9.008 -0.971 1.00 0.00 O ATOM 372 CB GLU A 24 -6.100 -10.362 -3.498 1.00 0.00 C ATOM 373 CG GLU A 24 -4.929 -10.473 -4.460 1.00 0.00 C ATOM 374 CD GLU A 24 -5.206 -9.810 -5.795 1.00 0.00 C ATOM 375 OE1 GLU A 24 -6.091 -8.931 -5.850 1.00 0.00 O ATOM 376 OE2 GLU A 24 -4.536 -10.171 -6.786 1.00 0.00 O ATOM 0 H GLU A 24 -7.470 -12.025 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.745 -11.195 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.929 -10.960 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.441 -9.327 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.048 -10.017 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.696 -11.525 -4.623 1.00 0.00 H new ATOM 383 N PHE A 25 -4.741 -9.351 -0.443 1.00 0.00 N ATOM 384 CA PHE A 25 -4.683 -8.257 0.516 1.00 0.00 C ATOM 385 C PHE A 25 -3.786 -7.134 0.013 1.00 0.00 C ATOM 386 O PHE A 25 -2.679 -7.374 -0.469 1.00 0.00 O ATOM 387 CB PHE A 25 -4.171 -8.762 1.866 1.00 0.00 C ATOM 388 CG PHE A 25 -5.266 -9.137 2.823 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.951 -10.331 2.675 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.608 -8.296 3.872 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.959 -10.682 3.552 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.615 -8.643 4.753 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.291 -9.837 4.593 1.00 0.00 C ATOM 0 H PHE A 25 -3.865 -9.863 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.692 -7.864 0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.531 -9.629 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.551 -7.990 2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.694 -10.996 1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.083 -7.361 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.487 -11.616 3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.873 -7.981 5.566 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.078 -10.109 5.281 1.00 0.00 H new ATOM 403 N TYR A 26 -4.271 -5.906 0.138 1.00 0.00 N ATOM 404 CA TYR A 26 -3.516 -4.737 -0.290 1.00 0.00 C ATOM 405 C TYR A 26 -3.374 -3.742 0.852 1.00 0.00 C ATOM 406 O TYR A 26 -4.056 -3.846 1.871 1.00 0.00 O ATOM 407 CB TYR A 26 -4.191 -4.060 -1.482 1.00 0.00 C ATOM 408 CG TYR A 26 -4.207 -4.911 -2.731 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.156 -5.910 -2.908 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.268 -4.713 -3.735 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.168 -6.688 -4.050 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.273 -5.485 -4.879 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.225 -6.471 -5.033 1.00 0.00 C ATOM 414 OH TYR A 26 -4.234 -7.244 -6.171 1.00 0.00 O ATOM 0 H TYR A 26 -5.187 -5.694 0.534 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.524 -5.073 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.216 -3.806 -1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.676 -3.124 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.896 -6.081 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.521 -3.942 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.912 -7.462 -4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.535 -5.318 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.158 -7.474 -6.403 1.00 0.00 H new ATOM 424 N MET A 27 -2.484 -2.780 0.672 1.00 0.00 N ATOM 425 CA MET A 27 -2.242 -1.757 1.681 1.00 0.00 C ATOM 426 C MET A 27 -2.263 -0.373 1.050 1.00 0.00 C ATOM 427 O MET A 27 -1.893 -0.211 -0.114 1.00 0.00 O ATOM 428 CB MET A 27 -0.894 -1.993 2.365 1.00 0.00 C ATOM 429 CG MET A 27 -0.989 -2.859 3.609 1.00 0.00 C ATOM 430 SD MET A 27 -0.411 -4.544 3.329 1.00 0.00 S ATOM 431 CE MET A 27 1.037 -4.583 4.381 1.00 0.00 C ATOM 0 H MET A 27 -1.913 -2.684 -0.168 1.00 0.00 H new ATOM 0 HA MET A 27 -3.034 -1.817 2.427 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.213 -2.463 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.459 -1.031 2.634 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.402 -2.406 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 27 -2.024 -2.886 3.950 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.735 -5.334 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.519 -3.605 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.740 -4.833 5.399 1.00 0.00 H new ATOM 441 N ILE A 28 -2.693 0.626 1.816 1.00 0.00 N ATOM 442 CA ILE A 28 -2.743 1.990 1.297 1.00 0.00 C ATOM 443 C ILE A 28 -1.357 2.631 1.302 1.00 0.00 C ATOM 444 O ILE A 28 -0.703 2.725 2.345 1.00 0.00 O ATOM 445 CB ILE A 28 -3.727 2.879 2.082 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.058 2.156 2.271 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.945 4.189 1.340 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.108 2.988 2.978 1.00 0.00 C ATOM 0 H ILE A 28 -3.007 0.521 2.781 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.102 1.916 0.270 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.304 3.092 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.441 1.857 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.887 1.242 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.642 4.813 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.994 4.711 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.356 3.983 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.026 2.409 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.746 3.265 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.308 3.890 2.399 1.00 0.00 H new ATOM 460 N GLY A 29 -0.913 3.061 0.121 1.00 0.00 N ATOM 461 CA GLY A 29 0.400 3.669 -0.008 1.00 0.00 C ATOM 462 C GLY A 29 0.602 4.843 0.926 1.00 0.00 C ATOM 463 O GLY A 29 1.730 5.144 1.313 1.00 0.00 O ATOM 0 H GLY A 29 -1.441 2.998 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.164 2.917 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.541 4.001 -1.036 1.00 0.00 H new ATOM 467 N SER A 30 -0.486 5.503 1.302 1.00 0.00 N ATOM 468 CA SER A 30 -0.399 6.636 2.211 1.00 0.00 C ATOM 469 C SER A 30 0.149 6.179 3.558 1.00 0.00 C ATOM 470 O SER A 30 1.004 6.840 4.158 1.00 0.00 O ATOM 471 CB SER A 30 -1.774 7.285 2.393 1.00 0.00 C ATOM 472 OG SER A 30 -2.532 6.615 3.385 1.00 0.00 O ATOM 0 H SER A 30 -1.431 5.275 0.994 1.00 0.00 H new ATOM 0 HA SER A 30 0.277 7.376 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.651 8.332 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.314 7.269 1.447 1.00 0.00 H new ATOM 0 HG SER A 30 -3.404 7.052 3.481 1.00 0.00 H new ATOM 478 N GLU A 31 -0.334 5.027 4.018 1.00 0.00 N ATOM 479 CA GLU A 31 0.116 4.468 5.283 1.00 0.00 C ATOM 480 C GLU A 31 1.541 3.960 5.149 1.00 0.00 C ATOM 481 O GLU A 31 2.378 4.182 6.022 1.00 0.00 O ATOM 482 CB GLU A 31 -0.811 3.340 5.733 1.00 0.00 C ATOM 483 CG GLU A 31 -2.128 3.832 6.309 1.00 0.00 C ATOM 484 CD GLU A 31 -2.185 3.711 7.819 1.00 0.00 C ATOM 485 OE1 GLU A 31 -2.041 2.580 8.330 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.373 4.746 8.491 1.00 0.00 O ATOM 0 H GLU A 31 -1.035 4.467 3.533 1.00 0.00 H new ATOM 0 HA GLU A 31 0.091 5.253 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.016 2.688 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.299 2.736 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.278 4.874 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.947 3.262 5.871 1.00 0.00 H new ATOM 493 N VAL A 32 1.812 3.293 4.035 1.00 0.00 N ATOM 494 CA VAL A 32 3.142 2.766 3.770 1.00 0.00 C ATOM 495 C VAL A 32 4.157 3.898 3.708 1.00 0.00 C ATOM 496 O VAL A 32 5.272 3.779 4.218 1.00 0.00 O ATOM 497 CB VAL A 32 3.185 1.975 2.449 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.521 1.268 2.293 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.035 0.981 2.385 1.00 0.00 C ATOM 0 H VAL A 32 1.129 3.105 3.302 1.00 0.00 H new ATOM 0 HA VAL A 32 3.392 2.090 4.587 1.00 0.00 H new ATOM 0 HB VAL A 32 3.074 2.677 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.532 0.715 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.324 2.005 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.666 0.577 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.081 0.431 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.111 0.282 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.088 1.516 2.446 1.00 0.00 H new ATOM 509 N GLY A 33 3.761 4.999 3.079 1.00 0.00 N ATOM 510 CA GLY A 33 4.643 6.143 2.961 1.00 0.00 C ATOM 511 C GLY A 33 4.986 6.746 4.309 1.00 0.00 C ATOM 512 O GLY A 33 6.159 6.947 4.622 1.00 0.00 O ATOM 0 H GLY A 33 2.844 5.119 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.561 5.841 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.170 6.901 2.336 1.00 0.00 H new ATOM 516 N ASN A 34 3.969 7.023 5.120 1.00 0.00 N ATOM 517 CA ASN A 34 4.206 7.593 6.440 1.00 0.00 C ATOM 518 C ASN A 34 4.932 6.586 7.328 1.00 0.00 C ATOM 519 O ASN A 34 5.742 6.960 8.176 1.00 0.00 O ATOM 520 CB ASN A 34 2.898 8.061 7.091 1.00 0.00 C ATOM 521 CG ASN A 34 1.947 6.928 7.431 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.362 5.853 7.860 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.654 7.172 7.250 1.00 0.00 N ATOM 0 H ASN A 34 2.988 6.865 4.890 1.00 0.00 H new ATOM 0 HA ASN A 34 4.841 8.471 6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.133 8.612 8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.396 8.756 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.036 6.454 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.351 8.078 6.892 1.00 0.00 H new ATOM 530 N TYR A 35 4.637 5.308 7.119 1.00 0.00 N ATOM 531 CA TYR A 35 5.259 4.235 7.888 1.00 0.00 C ATOM 532 C TYR A 35 6.769 4.227 7.685 1.00 0.00 C ATOM 533 O TYR A 35 7.534 4.074 8.636 1.00 0.00 O ATOM 534 CB TYR A 35 4.666 2.891 7.460 1.00 0.00 C ATOM 535 CG TYR A 35 4.964 1.763 8.412 1.00 0.00 C ATOM 536 CD1 TYR A 35 4.994 1.981 9.778 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.215 0.481 7.944 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.266 0.957 10.656 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.486 -0.552 8.817 1.00 0.00 C ATOM 540 CZ TYR A 35 5.510 -0.310 10.174 1.00 0.00 C ATOM 541 OH TYR A 35 5.782 -1.337 11.049 1.00 0.00 O ATOM 0 H TYR A 35 3.967 4.988 6.419 1.00 0.00 H new ATOM 0 HA TYR A 35 5.059 4.402 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.585 2.996 7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.051 2.632 6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.801 2.972 10.162 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.198 0.289 6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.288 1.146 11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.678 -1.545 8.439 1.00 0.00 H new ATOM 0 HH TYR A 35 5.929 -2.165 10.546 1.00 0.00 H new ATOM 551 N LEU A 36 7.189 4.407 6.440 1.00 0.00 N ATOM 552 CA LEU A 36 8.609 4.436 6.108 1.00 0.00 C ATOM 553 C LEU A 36 9.139 5.872 6.098 1.00 0.00 C ATOM 554 O LEU A 36 10.336 6.099 5.925 1.00 0.00 O ATOM 555 CB LEU A 36 8.858 3.776 4.751 1.00 0.00 C ATOM 556 CG LEU A 36 8.440 2.305 4.660 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.357 2.111 3.607 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.646 1.427 4.358 1.00 0.00 C ATOM 0 H LEU A 36 6.567 4.535 5.642 1.00 0.00 H new ATOM 0 HA LEU A 36 9.144 3.876 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.322 4.338 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.920 3.852 4.516 1.00 0.00 H new ATOM 0 HG LEU A 36 8.029 2.008 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.078 1.058 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.483 2.707 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.734 2.428 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.331 0.385 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.087 1.729 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.384 1.537 5.152 1.00 0.00 H new ATOM 570 N ARG A 37 8.240 6.837 6.290 1.00 0.00 N ATOM 571 CA ARG A 37 8.609 8.249 6.310 1.00 0.00 C ATOM 572 C ARG A 37 9.044 8.733 4.930 1.00 0.00 C ATOM 573 O ARG A 37 9.888 9.622 4.814 1.00 0.00 O ATOM 574 CB ARG A 37 9.730 8.496 7.322 1.00 0.00 C ATOM 575 CG ARG A 37 9.874 9.956 7.726 1.00 0.00 C ATOM 576 CD ARG A 37 8.887 10.337 8.818 1.00 0.00 C ATOM 577 NE ARG A 37 9.205 9.697 10.094 1.00 0.00 N ATOM 578 CZ ARG A 37 8.668 8.549 10.509 1.00 0.00 C ATOM 579 NH1 ARG A 37 7.794 7.899 9.750 1.00 0.00 N ATOM 580 NH2 ARG A 37 9.010 8.049 11.689 1.00 0.00 N ATOM 0 H ARG A 37 7.245 6.663 6.435 1.00 0.00 H new ATOM 0 HA ARG A 37 7.725 8.814 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.542 7.898 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.673 8.150 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.891 10.139 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.716 10.592 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.888 11.420 8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.880 10.053 8.511 1.00 0.00 H new ATOM 0 HE ARG A 37 9.880 10.158 10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.528 8.277 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.389 7.022 10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.682 8.542 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.601 7.171 12.009 1.00 0.00 H new ATOM 594 N MET A 38 8.449 8.162 3.889 1.00 0.00 N ATOM 595 CA MET A 38 8.768 8.560 2.525 1.00 0.00 C ATOM 596 C MET A 38 7.688 9.492 1.989 1.00 0.00 C ATOM 597 O MET A 38 6.501 9.164 2.021 1.00 0.00 O ATOM 598 CB MET A 38 8.898 7.331 1.623 1.00 0.00 C ATOM 599 CG MET A 38 9.996 6.373 2.055 1.00 0.00 C ATOM 600 SD MET A 38 10.664 5.418 0.679 1.00 0.00 S ATOM 601 CE MET A 38 12.242 6.230 0.437 1.00 0.00 C ATOM 0 H MET A 38 7.747 7.426 3.963 1.00 0.00 H new ATOM 0 HA MET A 38 9.722 9.087 2.530 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.947 6.798 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.094 7.659 0.602 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.801 6.937 2.525 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.602 5.691 2.809 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.588 6.057 -0.582 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.130 7.301 0.605 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.970 5.827 1.141 1.00 0.00 H new ATOM 611 N PHE A 39 8.100 10.660 1.508 1.00 0.00 N ATOM 612 CA PHE A 39 7.160 11.642 0.981 1.00 0.00 C ATOM 613 C PHE A 39 7.549 12.078 -0.428 1.00 0.00 C ATOM 614 O PHE A 39 8.594 11.683 -0.945 1.00 0.00 O ATOM 615 CB PHE A 39 7.087 12.852 1.914 1.00 0.00 C ATOM 616 CG PHE A 39 7.133 12.479 3.371 1.00 0.00 C ATOM 617 CD1 PHE A 39 6.010 11.974 4.008 1.00 0.00 C ATOM 618 CD2 PHE A 39 8.303 12.625 4.100 1.00 0.00 C ATOM 619 CE1 PHE A 39 6.053 11.620 5.343 1.00 0.00 C ATOM 620 CE2 PHE A 39 8.351 12.274 5.436 1.00 0.00 C ATOM 621 CZ PHE A 39 7.225 11.771 6.058 1.00 0.00 C ATOM 0 H PHE A 39 9.077 10.949 1.472 1.00 0.00 H new ATOM 0 HA PHE A 39 6.176 11.176 0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.915 13.525 1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.167 13.402 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.090 11.856 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.187 13.017 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.171 11.226 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.268 12.393 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.261 11.496 7.102 1.00 0.00 H new ATOM 631 N ARG A 40 6.700 12.896 -1.043 1.00 0.00 N ATOM 632 CA ARG A 40 6.954 13.388 -2.393 1.00 0.00 C ATOM 633 C ARG A 40 7.122 12.229 -3.371 1.00 0.00 C ATOM 634 O ARG A 40 7.972 12.270 -4.260 1.00 0.00 O ATOM 635 CB ARG A 40 8.202 14.272 -2.410 1.00 0.00 C ATOM 636 CG ARG A 40 7.910 15.742 -2.148 1.00 0.00 C ATOM 637 CD ARG A 40 8.652 16.257 -0.922 1.00 0.00 C ATOM 638 NE ARG A 40 7.734 16.701 0.124 1.00 0.00 N ATOM 639 CZ ARG A 40 6.922 17.749 0.002 1.00 0.00 C ATOM 640 NH1 ARG A 40 6.910 18.462 -1.118 1.00 0.00 N ATOM 641 NH2 ARG A 40 6.120 18.086 1.002 1.00 0.00 N ATOM 0 H ARG A 40 5.831 13.232 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 40 6.094 13.981 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.904 13.910 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.693 14.175 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.196 16.330 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.838 15.880 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.296 15.469 -0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.300 17.084 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 40 7.714 16.177 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.525 18.208 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.286 19.264 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.125 17.542 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.498 18.889 0.908 1.00 0.00 H new ATOM 655 N GLY A 41 6.307 11.194 -3.196 1.00 0.00 N ATOM 656 CA GLY A 41 6.383 10.036 -4.067 1.00 0.00 C ATOM 657 C GLY A 41 7.717 9.321 -3.963 1.00 0.00 C ATOM 658 O GLY A 41 8.091 8.560 -4.856 1.00 0.00 O ATOM 0 H GLY A 41 5.596 11.137 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.581 9.342 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.221 10.349 -5.098 1.00 0.00 H new ATOM 662 N SER A 42 8.435 9.563 -2.870 1.00 0.00 N ATOM 663 CA SER A 42 9.732 8.936 -2.653 1.00 0.00 C ATOM 664 C SER A 42 9.603 7.418 -2.619 1.00 0.00 C ATOM 665 O SER A 42 10.502 6.698 -3.055 1.00 0.00 O ATOM 666 CB SER A 42 10.352 9.435 -1.347 1.00 0.00 C ATOM 667 OG SER A 42 11.149 10.587 -1.566 1.00 0.00 O ATOM 0 H SER A 42 8.139 10.189 -2.121 1.00 0.00 H new ATOM 0 HA SER A 42 10.383 9.210 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.563 9.666 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.961 8.646 -0.906 1.00 0.00 H new ATOM 0 HG SER A 42 10.606 11.391 -1.429 1.00 0.00 H new ATOM 673 N LEU A 43 8.478 6.936 -2.099 1.00 0.00 N ATOM 674 CA LEU A 43 8.234 5.502 -2.009 1.00 0.00 C ATOM 675 C LEU A 43 8.118 4.883 -3.399 1.00 0.00 C ATOM 676 O LEU A 43 8.793 3.903 -3.709 1.00 0.00 O ATOM 677 CB LEU A 43 6.957 5.231 -1.211 1.00 0.00 C ATOM 678 CG LEU A 43 6.704 3.759 -0.875 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.234 3.429 0.510 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.219 3.438 -0.971 1.00 0.00 C ATOM 0 H LEU A 43 7.723 7.517 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 43 9.080 5.045 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.000 5.798 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.106 5.611 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 43 7.236 3.144 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.045 2.379 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.307 3.620 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.731 4.052 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.057 2.388 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.666 4.061 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.869 3.635 -1.984 1.00 0.00 H new ATOM 692 N TYR A 44 7.257 5.461 -4.229 1.00 0.00 N ATOM 693 CA TYR A 44 7.051 4.964 -5.584 1.00 0.00 C ATOM 694 C TYR A 44 8.288 5.195 -6.445 1.00 0.00 C ATOM 695 O TYR A 44 8.658 4.347 -7.257 1.00 0.00 O ATOM 696 CB TYR A 44 5.836 5.641 -6.219 1.00 0.00 C ATOM 697 CG TYR A 44 4.552 5.417 -5.452 1.00 0.00 C ATOM 698 CD1 TYR A 44 4.198 4.147 -5.013 1.00 0.00 C ATOM 699 CD2 TYR A 44 3.696 6.472 -5.167 1.00 0.00 C ATOM 700 CE1 TYR A 44 3.028 3.936 -4.310 1.00 0.00 C ATOM 701 CE2 TYR A 44 2.523 6.268 -4.465 1.00 0.00 C ATOM 702 CZ TYR A 44 2.193 5.000 -4.039 1.00 0.00 C ATOM 703 OH TYR A 44 1.027 4.793 -3.339 1.00 0.00 O ATOM 0 H TYR A 44 6.691 6.274 -3.987 1.00 0.00 H new ATOM 0 HA TYR A 44 6.870 3.891 -5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.024 6.712 -6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.712 5.268 -7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.848 3.311 -5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.951 7.468 -5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.768 2.943 -3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.868 7.099 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 44 0.677 5.653 -3.024 1.00 0.00 H new ATOM 713 N LYS A 45 8.926 6.346 -6.262 1.00 0.00 N ATOM 714 CA LYS A 45 10.124 6.683 -7.024 1.00 0.00 C ATOM 715 C LYS A 45 11.300 5.813 -6.590 1.00 0.00 C ATOM 716 O LYS A 45 12.153 5.454 -7.401 1.00 0.00 O ATOM 717 CB LYS A 45 10.470 8.163 -6.846 1.00 0.00 C ATOM 718 CG LYS A 45 9.900 9.054 -7.939 1.00 0.00 C ATOM 719 CD LYS A 45 9.356 10.355 -7.371 1.00 0.00 C ATOM 720 CE LYS A 45 10.445 11.156 -6.674 1.00 0.00 C ATOM 721 NZ LYS A 45 10.163 12.618 -6.700 1.00 0.00 N ATOM 0 H LYS A 45 8.635 7.060 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 45 9.923 6.493 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.096 8.502 -5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.554 8.275 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.676 9.273 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.105 8.524 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.922 10.951 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.554 10.138 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.536 10.822 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.403 10.963 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.030 13.143 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.836 12.892 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.425 12.842 -6.002 1.00 0.00 H new ATOM 735 N ARG A 46 11.335 5.475 -5.305 1.00 0.00 N ATOM 736 CA ARG A 46 12.402 4.643 -4.760 1.00 0.00 C ATOM 737 C ARG A 46 12.095 3.160 -4.954 1.00 0.00 C ATOM 738 O ARG A 46 12.988 2.318 -4.869 1.00 0.00 O ATOM 739 CB ARG A 46 12.600 4.944 -3.272 1.00 0.00 C ATOM 740 CG ARG A 46 13.799 4.236 -2.662 1.00 0.00 C ATOM 741 CD ARG A 46 15.106 4.879 -3.099 1.00 0.00 C ATOM 742 NE ARG A 46 15.307 6.187 -2.478 1.00 0.00 N ATOM 743 CZ ARG A 46 16.486 6.800 -2.405 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.572 6.227 -2.909 1.00 0.00 N ATOM 745 NH2 ARG A 46 16.580 7.989 -1.826 1.00 0.00 N ATOM 0 H ARG A 46 10.636 5.765 -4.621 1.00 0.00 H new ATOM 0 HA ARG A 46 13.320 4.877 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.718 6.020 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.701 4.653 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.725 4.263 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.792 3.187 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.937 4.223 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.112 4.988 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 46 14.496 6.658 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.506 5.312 -3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.473 6.702 -2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.749 8.434 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.484 8.459 -1.770 1.00 0.00 H new ATOM 759 N TYR A 47 10.828 2.845 -5.215 1.00 0.00 N ATOM 760 CA TYR A 47 10.408 1.463 -5.419 1.00 0.00 C ATOM 761 C TYR A 47 9.575 1.327 -6.696 1.00 0.00 C ATOM 762 O TYR A 47 8.373 1.064 -6.639 1.00 0.00 O ATOM 763 CB TYR A 47 9.594 0.982 -4.216 1.00 0.00 C ATOM 764 CG TYR A 47 10.420 0.734 -2.975 1.00 0.00 C ATOM 765 CD1 TYR A 47 11.007 -0.501 -2.756 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.602 1.726 -2.021 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.756 -0.748 -1.625 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.352 1.490 -0.883 1.00 0.00 C ATOM 769 CZ TYR A 47 11.927 0.250 -0.690 1.00 0.00 C ATOM 770 OH TYR A 47 12.673 0.010 0.442 1.00 0.00 O ATOM 0 H TYR A 47 10.075 3.529 -5.290 1.00 0.00 H new ATOM 0 HA TYR A 47 11.301 0.847 -5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.828 1.724 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.076 0.062 -4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.875 -1.286 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.151 2.696 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.206 -1.718 -1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.487 2.271 -0.150 1.00 0.00 H new ATOM 0 HH TYR A 47 12.826 -0.954 0.535 1.00 0.00 H new ATOM 780 N PRO A 48 10.202 1.512 -7.873 1.00 0.00 N ATOM 781 CA PRO A 48 9.505 1.418 -9.163 1.00 0.00 C ATOM 782 C PRO A 48 8.929 0.030 -9.431 1.00 0.00 C ATOM 783 O PRO A 48 7.893 -0.101 -10.082 1.00 0.00 O ATOM 784 CB PRO A 48 10.591 1.751 -10.194 1.00 0.00 C ATOM 785 CG PRO A 48 11.677 2.421 -9.423 1.00 0.00 C ATOM 786 CD PRO A 48 11.627 1.836 -8.042 1.00 0.00 C ATOM 0 HA PRO A 48 8.646 2.088 -9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.957 0.849 -10.685 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.204 2.404 -10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.648 2.246 -9.886 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.527 3.500 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.256 0.950 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.972 2.546 -7.290 1.00 0.00 H new ATOM 794 N SER A 49 9.601 -1.008 -8.935 1.00 0.00 N ATOM 795 CA SER A 49 9.134 -2.378 -9.139 1.00 0.00 C ATOM 796 C SER A 49 7.981 -2.725 -8.196 1.00 0.00 C ATOM 797 O SER A 49 7.447 -3.834 -8.243 1.00 0.00 O ATOM 798 CB SER A 49 10.284 -3.369 -8.943 1.00 0.00 C ATOM 799 OG SER A 49 9.797 -4.677 -8.698 1.00 0.00 O ATOM 0 H SER A 49 10.462 -0.928 -8.394 1.00 0.00 H new ATOM 0 HA SER A 49 8.767 -2.451 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.918 -3.374 -9.830 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.906 -3.047 -8.108 1.00 0.00 H new ATOM 0 HG SER A 49 8.834 -4.706 -8.875 1.00 0.00 H new ATOM 805 N LEU A 50 7.599 -1.779 -7.342 1.00 0.00 N ATOM 806 CA LEU A 50 6.512 -1.998 -6.395 1.00 0.00 C ATOM 807 C LEU A 50 5.152 -1.875 -7.078 1.00 0.00 C ATOM 808 O LEU A 50 4.947 -1.005 -7.925 1.00 0.00 O ATOM 809 CB LEU A 50 6.622 -0.996 -5.248 1.00 0.00 C ATOM 810 CG LEU A 50 6.039 -1.454 -3.913 1.00 0.00 C ATOM 811 CD1 LEU A 50 6.896 -2.554 -3.307 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.931 -0.276 -2.956 1.00 0.00 C ATOM 0 H LEU A 50 8.026 -0.854 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 50 6.596 -3.011 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.675 -0.754 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.122 -0.074 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 50 5.040 -1.854 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.466 -2.868 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.931 -3.404 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.906 -2.179 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.514 -0.615 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.921 0.147 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.280 0.485 -3.387 1.00 0.00 H new ATOM 824 N TRP A 51 4.228 -2.755 -6.704 1.00 0.00 N ATOM 825 CA TRP A 51 2.885 -2.753 -7.277 1.00 0.00 C ATOM 826 C TRP A 51 2.021 -1.665 -6.644 1.00 0.00 C ATOM 827 O TRP A 51 1.756 -1.691 -5.443 1.00 0.00 O ATOM 828 CB TRP A 51 2.222 -4.119 -7.076 1.00 0.00 C ATOM 829 CG TRP A 51 0.872 -4.226 -7.718 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.579 -4.775 -8.934 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.371 -3.772 -7.175 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.771 -4.686 -9.179 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.375 -4.073 -8.112 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.728 -3.139 -5.985 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.714 -3.760 -7.892 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.054 -2.828 -5.765 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.035 -3.138 -6.716 1.00 0.00 C ATOM 0 H TRP A 51 4.385 -3.481 -6.005 1.00 0.00 H new ATOM 0 HA TRP A 51 2.975 -2.548 -8.344 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.872 -4.893 -7.483 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.125 -4.314 -6.008 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.302 -5.215 -9.605 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.245 -5.021 -10.017 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.022 -2.896 -5.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.472 -4.000 -8.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.340 -2.338 -4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.065 -2.881 -6.517 1.00 0.00 H new ATOM 848 N ARG A 52 1.585 -0.711 -7.460 1.00 0.00 N ATOM 849 CA ARG A 52 0.746 0.382 -6.978 1.00 0.00 C ATOM 850 C ARG A 52 -0.357 0.705 -7.983 1.00 0.00 C ATOM 851 O ARG A 52 -0.117 0.730 -9.191 1.00 0.00 O ATOM 852 CB ARG A 52 1.593 1.628 -6.711 1.00 0.00 C ATOM 853 CG ARG A 52 2.312 2.157 -7.943 1.00 0.00 C ATOM 854 CD ARG A 52 2.470 3.669 -7.893 1.00 0.00 C ATOM 855 NE ARG A 52 2.000 4.308 -9.120 1.00 0.00 N ATOM 856 CZ ARG A 52 1.686 5.599 -9.211 1.00 0.00 C ATOM 857 NH1 ARG A 52 1.788 6.392 -8.150 1.00 0.00 N ATOM 858 NH2 ARG A 52 1.267 6.098 -10.366 1.00 0.00 N ATOM 0 H ARG A 52 1.798 -0.672 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 52 0.281 0.064 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.951 2.413 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.331 1.397 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.294 1.690 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.755 1.878 -8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.914 4.064 -7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.519 3.919 -7.732 1.00 0.00 H new ATOM 0 HE ARG A 52 1.907 3.731 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.108 6.013 -7.259 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.546 7.380 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.186 5.493 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.026 7.087 -10.437 1.00 0.00 H new ATOM 872 N ARG A 53 -1.564 0.960 -7.483 1.00 0.00 N ATOM 873 CA ARG A 53 -2.689 1.289 -8.355 1.00 0.00 C ATOM 874 C ARG A 53 -3.720 2.151 -7.629 1.00 0.00 C ATOM 875 O ARG A 53 -3.933 2.001 -6.428 1.00 0.00 O ATOM 876 CB ARG A 53 -3.336 0.004 -8.910 1.00 0.00 C ATOM 877 CG ARG A 53 -4.598 -0.454 -8.182 1.00 0.00 C ATOM 878 CD ARG A 53 -5.597 -1.092 -9.138 1.00 0.00 C ATOM 879 NE ARG A 53 -5.033 -2.246 -9.837 1.00 0.00 N ATOM 880 CZ ARG A 53 -4.525 -2.201 -11.068 1.00 0.00 C ATOM 881 NH1 ARG A 53 -4.506 -1.062 -11.752 1.00 0.00 N ATOM 882 NH2 ARG A 53 -4.035 -3.303 -11.620 1.00 0.00 N ATOM 0 H ARG A 53 -1.787 0.946 -6.488 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.307 1.871 -9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.579 0.163 -9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.601 -0.800 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.331 -1.169 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.062 0.398 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.482 -1.403 -8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.923 -0.351 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.028 -3.143 -9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.883 -0.211 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.115 -1.039 -12.694 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.048 -4.182 -11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.645 -3.272 -12.562 1.00 0.00 H new ATOM 896 N LEU A 54 -4.365 3.047 -8.371 1.00 0.00 N ATOM 897 CA LEU A 54 -5.381 3.922 -7.797 1.00 0.00 C ATOM 898 C LEU A 54 -6.656 3.140 -7.496 1.00 0.00 C ATOM 899 O LEU A 54 -6.937 2.125 -8.134 1.00 0.00 O ATOM 900 CB LEU A 54 -5.687 5.081 -8.749 1.00 0.00 C ATOM 901 CG LEU A 54 -4.925 6.372 -8.454 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.104 6.800 -9.662 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.882 7.478 -8.037 1.00 0.00 C ATOM 0 H LEU A 54 -4.202 3.186 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.994 4.328 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.459 4.766 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.756 5.290 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.241 6.182 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.569 7.721 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.387 6.017 -9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.767 6.968 -10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.319 8.388 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.594 7.665 -8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.420 7.174 -7.139 1.00 0.00 H new ATOM 915 N ALA A 55 -7.421 3.614 -6.519 1.00 0.00 N ATOM 916 CA ALA A 55 -8.661 2.951 -6.133 1.00 0.00 C ATOM 917 C ALA A 55 -9.883 3.715 -6.632 1.00 0.00 C ATOM 918 O ALA A 55 -9.945 4.941 -6.537 1.00 0.00 O ATOM 919 CB ALA A 55 -8.724 2.791 -4.622 1.00 0.00 C ATOM 0 H ALA A 55 -7.205 4.453 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.670 1.965 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.655 2.295 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.879 2.191 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.683 3.773 -4.150 1.00 0.00 H new ATOM 925 N THR A 56 -10.858 2.976 -7.152 1.00 0.00 N ATOM 926 CA THR A 56 -12.089 3.574 -7.656 1.00 0.00 C ATOM 927 C THR A 56 -12.950 4.070 -6.500 1.00 0.00 C ATOM 928 O THR A 56 -12.654 3.799 -5.339 1.00 0.00 O ATOM 929 CB THR A 56 -12.872 2.558 -8.487 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.526 1.622 -7.646 1.00 0.00 O ATOM 931 CG2 THR A 56 -12.008 1.778 -9.455 1.00 0.00 C ATOM 0 H THR A 56 -10.819 1.960 -7.235 1.00 0.00 H new ATOM 0 HA THR A 56 -11.826 4.421 -8.289 1.00 0.00 H new ATOM 0 HB THR A 56 -13.589 3.146 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.023 0.980 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.628 1.076 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.527 2.467 -10.150 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.246 1.229 -8.902 1.00 0.00 H new ATOM 939 N VAL A 57 -14.015 4.793 -6.819 1.00 0.00 N ATOM 940 CA VAL A 57 -14.910 5.313 -5.793 1.00 0.00 C ATOM 941 C VAL A 57 -15.541 4.172 -5.001 1.00 0.00 C ATOM 942 O VAL A 57 -15.724 4.268 -3.786 1.00 0.00 O ATOM 943 CB VAL A 57 -16.025 6.184 -6.402 1.00 0.00 C ATOM 944 CG1 VAL A 57 -16.855 6.834 -5.305 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.436 7.239 -7.328 1.00 0.00 C ATOM 0 H VAL A 57 -14.280 5.032 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.309 5.932 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.680 5.541 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.637 7.445 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.309 6.061 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.213 7.463 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.240 7.844 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.757 7.879 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.890 6.751 -8.135 1.00 0.00 H new ATOM 955 N GLU A 58 -15.866 3.086 -5.696 1.00 0.00 N ATOM 956 CA GLU A 58 -16.468 1.924 -5.054 1.00 0.00 C ATOM 957 C GLU A 58 -15.451 1.213 -4.169 1.00 0.00 C ATOM 958 O GLU A 58 -15.714 0.939 -2.997 1.00 0.00 O ATOM 959 CB GLU A 58 -17.012 0.956 -6.107 1.00 0.00 C ATOM 960 CG GLU A 58 -18.158 1.528 -6.924 1.00 0.00 C ATOM 961 CD GLU A 58 -18.561 0.625 -8.075 1.00 0.00 C ATOM 962 OE1 GLU A 58 -18.940 1.155 -9.140 1.00 0.00 O ATOM 963 OE2 GLU A 58 -18.498 -0.612 -7.909 1.00 0.00 O ATOM 0 H GLU A 58 -15.723 2.987 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.293 2.268 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.203 0.672 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.349 0.045 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.018 1.688 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -17.869 2.503 -7.316 1.00 0.00 H new ATOM 970 N GLU A 59 -14.284 0.918 -4.736 1.00 0.00 N ATOM 971 CA GLU A 59 -13.225 0.240 -4.000 1.00 0.00 C ATOM 972 C GLU A 59 -12.773 1.075 -2.806 1.00 0.00 C ATOM 973 O GLU A 59 -12.625 0.559 -1.699 1.00 0.00 O ATOM 974 CB GLU A 59 -12.036 -0.042 -4.920 1.00 0.00 C ATOM 975 CG GLU A 59 -12.345 -1.037 -6.027 1.00 0.00 C ATOM 976 CD GLU A 59 -11.360 -0.956 -7.177 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.779 0.130 -7.385 1.00 0.00 O ATOM 978 OE2 GLU A 59 -11.169 -1.978 -7.868 1.00 0.00 O ATOM 0 H GLU A 59 -14.049 1.139 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.621 -0.706 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.703 0.895 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.207 -0.422 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.335 -2.046 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.352 -0.855 -6.403 1.00 0.00 H new ATOM 985 N ARG A 60 -12.557 2.365 -3.038 1.00 0.00 N ATOM 986 CA ARG A 60 -12.122 3.267 -1.978 1.00 0.00 C ATOM 987 C ARG A 60 -13.156 3.318 -0.861 1.00 0.00 C ATOM 988 O ARG A 60 -12.808 3.291 0.319 1.00 0.00 O ATOM 989 CB ARG A 60 -11.857 4.669 -2.540 1.00 0.00 C ATOM 990 CG ARG A 60 -13.113 5.476 -2.815 1.00 0.00 C ATOM 991 CD ARG A 60 -12.778 6.853 -3.362 1.00 0.00 C ATOM 992 NE ARG A 60 -12.203 6.784 -4.703 1.00 0.00 N ATOM 993 CZ ARG A 60 -12.137 7.821 -5.536 1.00 0.00 C ATOM 994 NH1 ARG A 60 -12.609 9.006 -5.169 1.00 0.00 N ATOM 995 NH2 ARG A 60 -11.598 7.671 -6.739 1.00 0.00 N ATOM 0 H ARG A 60 -12.676 2.809 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.190 2.886 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.232 5.219 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.288 4.576 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.741 4.942 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.690 5.578 -1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.681 7.463 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.076 7.348 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.830 5.889 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.025 9.126 -4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.556 9.797 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.235 6.762 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.547 8.465 -7.378 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.433 3.370 -1.234 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.504 3.397 -0.246 1.00 0.00 C ATOM 1011 C LYS A 61 -15.407 2.164 0.641 1.00 0.00 C ATOM 1012 O LYS A 61 -15.499 2.253 1.866 1.00 0.00 O ATOM 1013 CB LYS A 61 -16.870 3.451 -0.936 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.649 4.724 -0.640 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.306 5.280 -1.893 1.00 0.00 C ATOM 1016 CE LYS A 61 -18.609 6.764 -1.750 1.00 0.00 C ATOM 1017 NZ LYS A 61 -19.318 7.066 -0.476 1.00 0.00 N ATOM 0 H LYS A 61 -14.747 3.394 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.399 4.291 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.728 3.363 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.461 2.591 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.412 4.519 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.978 5.472 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.651 5.122 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.229 4.736 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.678 7.330 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.219 7.093 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.699 8.033 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.098 6.391 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.653 6.986 0.319 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.194 1.013 0.009 1.00 0.00 N ATOM 1032 CA LYS A 62 -15.053 -0.242 0.732 1.00 0.00 C ATOM 1033 C LYS A 62 -13.760 -0.238 1.541 1.00 0.00 C ATOM 1034 O LYS A 62 -13.697 -0.794 2.638 1.00 0.00 O ATOM 1035 CB LYS A 62 -15.062 -1.422 -0.241 1.00 0.00 C ATOM 1036 CG LYS A 62 -16.443 -2.019 -0.461 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.675 -2.370 -1.923 1.00 0.00 C ATOM 1038 CE LYS A 62 -18.076 -2.914 -2.150 1.00 0.00 C ATOM 1039 NZ LYS A 62 -19.022 -1.849 -2.585 1.00 0.00 N ATOM 0 H LYS A 62 -15.116 0.926 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.896 -0.348 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.660 -1.095 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.396 -2.198 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.555 -2.914 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.203 -1.311 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.523 -1.484 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.940 -3.110 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.042 -3.700 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.442 -3.371 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.966 -2.261 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.074 -1.111 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.687 -1.430 -3.476 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.254 6.913 -3.259 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.698 5.825 -2.463 1.00 0.00 C ATOM 1431 C VAL A 88 -5.736 4.975 -3.284 1.00 0.00 C ATOM 1432 O VAL A 88 -6.119 4.388 -4.296 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.811 4.919 -1.897 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.233 3.897 -0.928 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.887 5.754 -1.219 1.00 0.00 C ATOM 0 HA VAL A 88 -6.155 6.284 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.268 4.380 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.035 3.269 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.503 3.275 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.746 4.414 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.663 5.097 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.445 6.323 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.325 6.441 -1.943 1.00 0.00 H new ATOM 1445 N THR A 89 -4.485 4.908 -2.841 1.00 0.00 N ATOM 1446 CA THR A 89 -3.468 4.125 -3.534 1.00 0.00 C ATOM 1447 C THR A 89 -3.341 2.739 -2.911 1.00 0.00 C ATOM 1448 O THR A 89 -3.142 2.609 -1.707 1.00 0.00 O ATOM 1449 CB THR A 89 -2.118 4.844 -3.485 1.00 0.00 C ATOM 1450 OG1 THR A 89 -2.293 6.227 -3.241 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.318 4.701 -4.762 1.00 0.00 C ATOM 0 H THR A 89 -4.151 5.387 -2.005 1.00 0.00 H new ATOM 0 HA THR A 89 -3.773 4.014 -4.575 1.00 0.00 H new ATOM 0 HB THR A 89 -1.567 4.368 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.418 6.667 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.373 5.234 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.121 3.646 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.883 5.120 -5.594 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.464 1.706 -3.738 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.370 0.331 -3.260 1.00 0.00 C ATOM 1461 C LEU A 90 -2.005 -0.273 -3.574 1.00 0.00 C ATOM 1462 O LEU A 90 -1.391 0.045 -4.594 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.471 -0.527 -3.883 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.892 0.010 -3.697 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.349 0.751 -4.943 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.853 -1.122 -3.366 1.00 0.00 C ATOM 0 H LEU A 90 -3.629 1.794 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.497 0.348 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.273 -0.627 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.418 -1.528 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.888 0.711 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.361 1.126 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.677 1.587 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.336 0.072 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.858 -0.720 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.854 -1.848 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.537 -1.610 -2.444 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.542 -1.150 -2.686 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.252 -1.812 -2.851 1.00 0.00 C ATOM 1480 C LEU A 91 -0.365 -3.305 -2.538 1.00 0.00 C ATOM 1481 O LEU A 91 -1.268 -3.723 -1.815 1.00 0.00 O ATOM 1482 CB LEU A 91 0.781 -1.160 -1.937 1.00 0.00 C ATOM 1483 CG LEU A 91 1.724 -0.174 -2.627 1.00 0.00 C ATOM 1484 CD1 LEU A 91 2.052 0.988 -1.702 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.993 -0.880 -3.073 1.00 0.00 C ATOM 0 H LEU A 91 -2.045 -1.419 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 91 0.066 -1.704 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.257 -0.639 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.377 -1.944 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 91 1.224 0.224 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.724 1.679 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.133 1.508 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.534 0.610 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.654 -0.165 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.497 -1.305 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.739 -1.677 -3.772 1.00 0.00 H new ATOM 1497 N LYS A 92 0.549 -4.106 -3.085 1.00 0.00 N ATOM 1498 CA LYS A 92 0.524 -5.550 -2.852 1.00 0.00 C ATOM 1499 C LYS A 92 1.006 -5.886 -1.442 1.00 0.00 C ATOM 1500 O LYS A 92 2.138 -5.572 -1.068 1.00 0.00 O ATOM 1501 CB LYS A 92 1.401 -6.262 -3.884 1.00 0.00 C ATOM 1502 CG LYS A 92 0.808 -6.280 -5.282 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.320 -7.293 -5.403 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.077 -8.270 -6.542 1.00 0.00 C ATOM 1505 NZ LYS A 92 0.444 -9.577 -6.053 1.00 0.00 N ATOM 0 H LYS A 92 1.308 -3.785 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.506 -5.893 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.375 -5.774 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.570 -7.288 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.433 -5.287 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.589 -6.517 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.418 -7.842 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.263 -6.771 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.007 -8.431 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.633 -7.837 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.596 -10.214 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.345 -9.427 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.245 -10.003 -5.401 1.00 0.00 H new ATOM 1519 N ALA A 93 0.142 -6.544 -0.671 1.00 0.00 N ATOM 1520 CA ALA A 93 0.464 -6.932 0.700 1.00 0.00 C ATOM 1521 C ALA A 93 1.812 -7.637 0.782 1.00 0.00 C ATOM 1522 O ALA A 93 2.635 -7.324 1.643 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.631 -7.822 1.266 1.00 0.00 C ATOM 0 H ALA A 93 -0.791 -6.821 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 93 0.529 -6.022 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.379 -8.104 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.578 -7.282 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.723 -8.719 0.654 1.00 0.00 H new ATOM 1529 N SER A 94 2.028 -8.591 -0.112 1.00 0.00 N ATOM 1530 CA SER A 94 3.274 -9.343 -0.134 1.00 0.00 C ATOM 1531 C SER A 94 4.468 -8.424 -0.371 1.00 0.00 C ATOM 1532 O SER A 94 5.539 -8.626 0.202 1.00 0.00 O ATOM 1533 CB SER A 94 3.224 -10.419 -1.221 1.00 0.00 C ATOM 1534 OG SER A 94 3.145 -9.838 -2.511 1.00 0.00 O ATOM 0 H SER A 94 1.357 -8.862 -0.831 1.00 0.00 H new ATOM 0 HA SER A 94 3.395 -9.819 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.112 -11.048 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.362 -11.066 -1.057 1.00 0.00 H new ATOM 0 HG SER A 94 3.116 -10.546 -3.188 1.00 0.00 H new ATOM 1540 N GLU A 95 4.281 -7.413 -1.215 1.00 0.00 N ATOM 1541 CA GLU A 95 5.355 -6.477 -1.515 1.00 0.00 C ATOM 1542 C GLU A 95 5.675 -5.613 -0.301 1.00 0.00 C ATOM 1543 O GLU A 95 6.835 -5.483 0.097 1.00 0.00 O ATOM 1544 CB GLU A 95 4.986 -5.613 -2.719 1.00 0.00 C ATOM 1545 CG GLU A 95 4.962 -6.395 -4.024 1.00 0.00 C ATOM 1546 CD GLU A 95 5.358 -5.556 -5.221 1.00 0.00 C ATOM 1547 OE1 GLU A 95 4.513 -5.372 -6.121 1.00 0.00 O ATOM 1548 OE2 GLU A 95 6.513 -5.085 -5.260 1.00 0.00 O ATOM 0 H GLU A 95 3.403 -7.224 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 95 6.250 -7.047 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.007 -5.165 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.700 -4.794 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.638 -7.247 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.961 -6.796 -4.183 1.00 0.00 H new ATOM 1555 N VAL A 96 4.637 -5.040 0.299 1.00 0.00 N ATOM 1556 CA VAL A 96 4.810 -4.207 1.478 1.00 0.00 C ATOM 1557 C VAL A 96 5.413 -5.024 2.612 1.00 0.00 C ATOM 1558 O VAL A 96 6.391 -4.617 3.236 1.00 0.00 O ATOM 1559 CB VAL A 96 3.475 -3.599 1.947 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.712 -2.553 3.024 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.716 -3.001 0.772 1.00 0.00 C ATOM 0 H VAL A 96 3.671 -5.138 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 96 5.482 -3.393 1.206 1.00 0.00 H new ATOM 0 HB VAL A 96 2.867 -4.396 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.757 -2.135 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.208 -3.015 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.341 -1.757 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.776 -2.577 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.318 -2.218 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.510 -3.780 0.038 1.00 0.00 H new ATOM 1571 N GLU A 97 4.823 -6.186 2.860 1.00 0.00 N ATOM 1572 CA GLU A 97 5.295 -7.079 3.909 1.00 0.00 C ATOM 1573 C GLU A 97 6.773 -7.406 3.718 1.00 0.00 C ATOM 1574 O GLU A 97 7.532 -7.472 4.684 1.00 0.00 O ATOM 1575 CB GLU A 97 4.471 -8.369 3.920 1.00 0.00 C ATOM 1576 CG GLU A 97 3.277 -8.322 4.859 1.00 0.00 C ATOM 1577 CD GLU A 97 2.579 -9.663 4.984 1.00 0.00 C ATOM 1578 OE1 GLU A 97 2.778 -10.342 6.013 1.00 0.00 O ATOM 1579 OE2 GLU A 97 1.834 -10.033 4.053 1.00 0.00 O ATOM 0 H GLU A 97 4.013 -6.533 2.346 1.00 0.00 H new ATOM 0 HA GLU A 97 5.174 -6.572 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.119 -8.574 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.116 -9.199 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.608 -7.996 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.566 -7.579 4.499 1.00 0.00 H new ATOM 1586 N GLU A 98 7.177 -7.608 2.466 1.00 0.00 N ATOM 1587 CA GLU A 98 8.568 -7.925 2.161 1.00 0.00 C ATOM 1588 C GLU A 98 9.483 -6.778 2.584 1.00 0.00 C ATOM 1589 O GLU A 98 10.492 -6.982 3.271 1.00 0.00 O ATOM 1590 CB GLU A 98 8.725 -8.173 0.660 1.00 0.00 C ATOM 1591 CG GLU A 98 8.471 -9.607 0.234 1.00 0.00 C ATOM 1592 CD GLU A 98 9.271 -10.610 1.042 1.00 0.00 C ATOM 1593 OE1 GLU A 98 8.785 -11.031 2.114 1.00 0.00 O ATOM 1594 OE2 GLU A 98 10.383 -10.975 0.605 1.00 0.00 O ATOM 0 H GLU A 98 6.565 -7.558 1.652 1.00 0.00 H new ATOM 0 HA GLU A 98 8.848 -8.823 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.038 -7.519 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.734 -7.891 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.409 -9.829 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.719 -9.717 -0.822 1.00 0.00 H new ATOM 1601 N ILE A 99 9.112 -5.563 2.195 1.00 0.00 N ATOM 1602 CA ILE A 99 9.895 -4.391 2.554 1.00 0.00 C ATOM 1603 C ILE A 99 9.929 -4.240 4.066 1.00 0.00 C ATOM 1604 O ILE A 99 10.959 -3.902 4.649 1.00 0.00 O ATOM 1605 CB ILE A 99 9.344 -3.099 1.913 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.026 -3.321 0.431 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.352 -1.969 2.071 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.777 -2.604 -0.034 1.00 0.00 C ATOM 0 H ILE A 99 8.282 -5.367 1.636 1.00 0.00 H new ATOM 0 HA ILE A 99 10.904 -4.542 2.169 1.00 0.00 H new ATOM 0 HB ILE A 99 8.420 -2.826 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.872 -2.985 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.911 -4.389 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.955 -1.061 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.538 -1.793 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.286 -2.243 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.614 -2.806 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.920 -2.957 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.896 -1.531 0.116 1.00 0.00 H new ATOM 1620 N LEU A 100 8.794 -4.520 4.697 1.00 0.00 N ATOM 1621 CA LEU A 100 8.686 -4.444 6.148 1.00 0.00 C ATOM 1622 C LEU A 100 9.552 -5.520 6.793 1.00 0.00 C ATOM 1623 O LEU A 100 10.126 -5.315 7.862 1.00 0.00 O ATOM 1624 CB LEU A 100 7.231 -4.609 6.588 1.00 0.00 C ATOM 1625 CG LEU A 100 6.282 -3.495 6.140 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.944 -3.626 6.845 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.896 -2.127 6.402 1.00 0.00 C ATOM 0 H LEU A 100 7.935 -4.802 4.225 1.00 0.00 H new ATOM 0 HA LEU A 100 9.036 -3.464 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.858 -5.558 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.203 -4.672 7.676 1.00 0.00 H new ATOM 0 HG LEU A 100 6.118 -3.593 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.280 -2.827 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.498 -4.591 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.092 -3.555 7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.205 -1.350 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.092 -2.014 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.831 -2.036 5.849 1.00 0.00 H new ATOM 1639 N ASP A 101 9.655 -6.664 6.120 1.00 0.00 N ATOM 1640 CA ASP A 101 10.469 -7.771 6.609 1.00 0.00 C ATOM 1641 C ASP A 101 11.944 -7.494 6.334 1.00 0.00 C ATOM 1642 O ASP A 101 12.828 -8.150 6.886 1.00 0.00 O ATOM 1643 CB ASP A 101 10.045 -9.082 5.945 1.00 0.00 C ATOM 1644 CG ASP A 101 8.882 -9.743 6.658 1.00 0.00 C ATOM 1645 OD1 ASP A 101 8.104 -10.457 5.990 1.00 0.00 O ATOM 1646 OD2 ASP A 101 8.748 -9.546 7.884 1.00 0.00 O ATOM 0 H ASP A 101 9.184 -6.847 5.234 1.00 0.00 H new ATOM 0 HA ASP A 101 10.320 -7.865 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.769 -8.888 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.893 -9.767 5.926 1.00 0.00 H new ATOM 1651 N GLY A 102 12.194 -6.512 5.472 1.00 0.00 N ATOM 1652 CA GLY A 102 13.552 -6.143 5.119 1.00 0.00 C ATOM 1653 C GLY A 102 13.973 -6.694 3.775 1.00 0.00 C ATOM 1654 O GLY A 102 15.110 -6.498 3.344 1.00 0.00 O ATOM 0 H GLY A 102 11.472 -5.961 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.638 -5.056 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.235 -6.507 5.887 1.00 0.00 H new ATOM 1658 N ASN A 103 13.043 -7.350 3.091 1.00 0.00 N ATOM 1659 CA ASN A 103 13.309 -7.887 1.769 1.00 0.00 C ATOM 1660 C ASN A 103 12.646 -6.998 0.727 1.00 0.00 C ATOM 1661 O ASN A 103 11.422 -6.936 0.653 1.00 0.00 O ATOM 1662 CB ASN A 103 12.785 -9.319 1.652 1.00 0.00 C ATOM 1663 CG ASN A 103 13.122 -9.952 0.316 1.00 0.00 C ATOM 1664 OD1 ASN A 103 12.352 -9.612 -0.711 1.00 0.00 O flip ATOM 1665 ND2 ASN A 103 14.063 -10.738 0.208 1.00 0.00 N flip ATOM 0 H ASN A 103 12.098 -7.521 3.434 1.00 0.00 H new ATOM 0 HA ASN A 103 14.386 -7.907 1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.208 -9.924 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.704 -9.319 1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.629 -10.971 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.277 -11.156 -0.697 1.00 0.00 H new ATOM 1672 N ASP A 104 13.442 -6.294 -0.063 1.00 0.00 N ATOM 1673 CA ASP A 104 12.879 -5.405 -1.073 1.00 0.00 C ATOM 1674 C ASP A 104 13.928 -4.898 -2.057 1.00 0.00 C ATOM 1675 O ASP A 104 13.704 -3.910 -2.752 1.00 0.00 O ATOM 1676 CB ASP A 104 12.199 -4.218 -0.389 1.00 0.00 C ATOM 1677 CG ASP A 104 13.140 -3.470 0.536 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.540 -2.339 0.189 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.474 -4.015 1.608 1.00 0.00 O ATOM 0 H ASP A 104 14.461 -6.317 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 104 12.152 -5.982 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.819 -3.534 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.340 -4.573 0.180 1.00 0.00 H new ATOM 1684 N GLU A 105 15.065 -5.577 -2.120 1.00 0.00 N ATOM 1685 CA GLU A 105 16.138 -5.184 -3.025 1.00 0.00 C ATOM 1686 C GLU A 105 15.645 -5.138 -4.468 1.00 0.00 C ATOM 1687 O GLU A 105 16.038 -4.266 -5.243 1.00 0.00 O ATOM 1688 CB GLU A 105 17.317 -6.152 -2.908 1.00 0.00 C ATOM 1689 CG GLU A 105 17.858 -6.283 -1.494 1.00 0.00 C ATOM 1690 CD GLU A 105 17.503 -7.611 -0.853 1.00 0.00 C ATOM 1691 OE1 GLU A 105 17.317 -7.644 0.381 1.00 0.00 O ATOM 1692 OE2 GLU A 105 17.410 -8.618 -1.586 1.00 0.00 O ATOM 0 H GLU A 105 15.269 -6.402 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 105 16.469 -4.185 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.006 -7.135 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.119 -5.816 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.942 -6.171 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.464 -5.472 -0.882 1.00 0.00 H new ATOM 1699 N LYS A 106 14.781 -6.082 -4.817 1.00 0.00 N ATOM 1700 CA LYS A 106 14.228 -6.153 -6.164 1.00 0.00 C ATOM 1701 C LYS A 106 13.190 -5.058 -6.391 1.00 0.00 C ATOM 1702 O LYS A 106 12.913 -4.680 -7.529 1.00 0.00 O ATOM 1703 CB LYS A 106 13.597 -7.526 -6.406 1.00 0.00 C ATOM 1704 CG LYS A 106 12.412 -7.819 -5.501 1.00 0.00 C ATOM 1705 CD LYS A 106 11.356 -8.644 -6.217 1.00 0.00 C ATOM 1706 CE LYS A 106 10.595 -7.812 -7.237 1.00 0.00 C ATOM 1707 NZ LYS A 106 9.654 -8.642 -8.040 1.00 0.00 N ATOM 0 H LYS A 106 14.447 -6.810 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 106 15.045 -6.003 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.274 -7.590 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.355 -8.296 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.753 -8.353 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.973 -6.882 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.830 -9.489 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.658 -9.055 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.039 -7.027 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.302 -7.318 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.155 -8.038 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.187 -9.375 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.963 -9.093 -7.407 1.00 0.00 H new ATOM 1721 N TYR A 107 12.612 -4.555 -5.303 1.00 0.00 N ATOM 1722 CA TYR A 107 11.604 -3.513 -5.386 1.00 0.00 C ATOM 1723 C TYR A 107 12.238 -2.132 -5.536 1.00 0.00 C ATOM 1724 O TYR A 107 11.673 -1.246 -6.178 1.00 0.00 O ATOM 1725 CB TYR A 107 10.736 -3.528 -4.131 1.00 0.00 C ATOM 1726 CG TYR A 107 10.011 -4.827 -3.879 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.325 -5.477 -4.894 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.999 -5.392 -2.613 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.647 -6.656 -4.654 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.327 -6.571 -2.363 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.651 -7.199 -3.386 1.00 0.00 C ATOM 1732 OH TYR A 107 7.976 -8.374 -3.143 1.00 0.00 O ATOM 0 H TYR A 107 12.828 -4.856 -4.353 1.00 0.00 H new ATOM 0 HA TYR A 107 10.994 -3.713 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.365 -3.306 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.001 -2.726 -4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.321 -5.054 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.525 -4.901 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.117 -7.150 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.331 -6.999 -1.371 1.00 0.00 H new ATOM 0 HH TYR A 107 8.621 -9.094 -2.979 1.00 0.00 H new ATOM 1742 N LYS A 108 13.405 -1.947 -4.923 1.00 0.00 N ATOM 1743 CA LYS A 108 14.097 -0.659 -4.973 1.00 0.00 C ATOM 1744 C LYS A 108 14.834 -0.475 -6.297 1.00 0.00 C ATOM 1745 O LYS A 108 15.010 0.648 -6.769 1.00 0.00 O ATOM 1746 CB LYS A 108 15.100 -0.516 -3.815 1.00 0.00 C ATOM 1747 CG LYS A 108 14.932 -1.535 -2.698 1.00 0.00 C ATOM 1748 CD LYS A 108 15.689 -1.120 -1.446 1.00 0.00 C ATOM 1749 CE LYS A 108 15.196 0.212 -0.908 1.00 0.00 C ATOM 1750 NZ LYS A 108 16.248 1.265 -0.982 1.00 0.00 N ATOM 0 H LYS A 108 13.890 -2.668 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 108 13.332 0.112 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.110 -0.599 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.006 0.484 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.874 -1.648 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.290 -2.508 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.574 -1.887 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.753 -1.051 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.322 0.532 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.877 0.090 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.872 2.159 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.073 0.972 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.535 1.400 -1.973 1.00 0.00 H new ATOM 1764 N ALA A 109 15.286 -1.580 -6.881 1.00 0.00 N ATOM 1765 CA ALA A 109 16.027 -1.530 -8.138 1.00 0.00 C ATOM 1766 C ALA A 109 15.136 -1.785 -9.348 1.00 0.00 C ATOM 1767 O ALA A 109 15.619 -2.220 -10.394 1.00 0.00 O ATOM 1768 CB ALA A 109 17.159 -2.540 -8.108 1.00 0.00 C ATOM 0 H ALA A 109 15.153 -2.519 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 109 16.429 -0.522 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.709 -2.499 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.833 -2.307 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.750 -3.541 -7.971 1.00 0.00 H new