USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot 171:sc= -1.74! USER MOD Set 1.2: A 30 CYS SG : rot -152:sc= 0.913 USER MOD Set 1.3: A 34 LYS NZ :NH3+ -124:sc= -0.144 (180deg=-0.594) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00157) USER MOD Single : A 38 GLN : amide:sc= -0.828 K(o=-0.83,f=-0.11) USER MOD Single : A 40 TYR OH : rot 180:sc= -2.22 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.39! X(o=-1.4!,f=-1.4) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.291 K(o=0.29,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 30:sc= -0.0286 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -1.03 (180deg=-6.7!) USER MOD Single : A 71 HIS : no HE2:sc= -9.73! C(o=-9.7!,f=-10!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc=-0.00636 X(o=-0.0064,f=-0.35) USER MOD Single : A 78 MET CE :methyl 177:sc= -2.86! (180deg=-2.87!) USER MOD Single : A 79 MET CE :methyl 161:sc= 0 (180deg=-0.853) USER MOD Single : A 80 HIS : no HE2:sc= -13.9! C(o=-14!,f=-18!) USER MOD Single : A 83 ASN : amide:sc=-0.00989 X(o=-0.0099,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -134:sc= 0.799 (180deg=-0.156) USER MOD Single : A 90 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.341 8.083 14.012 1.00 0.00 N ATOM 170 CA ALA A 15 4.647 6.858 13.653 1.00 0.00 C ATOM 171 C ALA A 15 4.500 6.787 12.132 1.00 0.00 C ATOM 172 O ALA A 15 4.211 7.793 11.485 1.00 0.00 O ATOM 173 CB ALA A 15 3.297 6.807 14.372 1.00 0.00 C ATOM 0 HA ALA A 15 5.219 5.986 13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.776 5.888 14.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.458 6.831 15.450 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.694 7.666 14.076 1.00 0.00 H new ATOM 179 N LEU A 16 4.707 5.589 11.605 1.00 0.00 N ATOM 180 CA LEU A 16 4.601 5.374 10.171 1.00 0.00 C ATOM 181 C LEU A 16 3.147 5.063 9.812 1.00 0.00 C ATOM 182 O LEU A 16 2.403 4.524 10.631 1.00 0.00 O ATOM 183 CB LEU A 16 5.590 4.299 9.717 1.00 0.00 C ATOM 184 CG LEU A 16 7.061 4.718 9.669 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.926 3.614 9.056 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.228 6.050 8.936 1.00 0.00 C ATOM 0 H LEU A 16 4.947 4.757 12.145 1.00 0.00 H new ATOM 0 HA LEU A 16 4.877 6.278 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.498 3.443 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.297 3.960 8.723 1.00 0.00 H new ATOM 0 HG LEU A 16 7.407 4.868 10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.967 3.937 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.840 2.709 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.588 3.409 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.283 6.325 8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.859 5.952 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.661 6.824 9.454 1.00 0.00 H new ATOM 198 N PRO A 17 2.776 5.425 8.555 1.00 0.00 N ATOM 199 CA PRO A 17 1.423 5.191 8.078 1.00 0.00 C ATOM 200 C PRO A 17 1.206 3.711 7.753 1.00 0.00 C ATOM 201 O PRO A 17 2.164 2.973 7.533 1.00 0.00 O ATOM 202 CB PRO A 17 1.273 6.093 6.864 1.00 0.00 C ATOM 203 CG PRO A 17 2.686 6.449 6.431 1.00 0.00 C ATOM 204 CD PRO A 17 3.629 6.065 7.559 1.00 0.00 C ATOM 0 HA PRO A 17 0.666 5.424 8.827 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.736 5.584 6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.703 6.989 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.950 5.919 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.762 7.515 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.408 5.387 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.130 6.941 7.971 1.00 0.00 H new ATOM 212 N VAL A 18 -0.061 3.323 7.734 1.00 0.00 N ATOM 213 CA VAL A 18 -0.417 1.945 7.441 1.00 0.00 C ATOM 214 C VAL A 18 -0.995 1.862 6.026 1.00 0.00 C ATOM 215 O VAL A 18 -2.047 2.434 5.748 1.00 0.00 O ATOM 216 CB VAL A 18 -1.374 1.413 8.509 1.00 0.00 C ATOM 217 CG1 VAL A 18 -1.896 0.024 8.135 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.704 1.394 9.885 1.00 0.00 C ATOM 0 H VAL A 18 -0.853 3.939 7.917 1.00 0.00 H new ATOM 0 HA VAL A 18 0.467 1.308 7.470 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.227 2.089 8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.574 -0.331 8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.428 0.079 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.058 -0.667 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.406 1.012 10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.176 0.751 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.404 2.406 10.158 1.00 0.00 H new ATOM 228 N LEU A 19 -0.280 1.146 5.171 1.00 0.00 N ATOM 229 CA LEU A 19 -0.708 0.982 3.792 1.00 0.00 C ATOM 230 C LEU A 19 -1.365 -0.390 3.627 1.00 0.00 C ATOM 231 O LEU A 19 -0.707 -1.419 3.776 1.00 0.00 O ATOM 232 CB LEU A 19 0.461 1.223 2.835 1.00 0.00 C ATOM 233 CG LEU A 19 0.165 1.015 1.349 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.331 2.310 0.702 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.383 0.442 0.622 1.00 0.00 C ATOM 0 H LEU A 19 0.593 0.673 5.406 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.459 1.729 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.815 2.244 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.279 0.561 3.118 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.637 0.282 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.534 2.134 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.245 2.638 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.432 3.082 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.145 0.304 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.222 1.132 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.651 -0.518 1.062 1.00 0.00 H new ATOM 247 N THR A 20 -2.654 -0.361 3.322 1.00 0.00 N ATOM 248 CA THR A 20 -3.407 -1.590 3.135 1.00 0.00 C ATOM 249 C THR A 20 -3.103 -2.198 1.764 1.00 0.00 C ATOM 250 O THR A 20 -3.281 -1.544 0.738 1.00 0.00 O ATOM 251 CB THR A 20 -4.889 -1.273 3.345 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.891 -0.291 4.377 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.660 -2.449 3.947 1.00 0.00 C ATOM 0 H THR A 20 -3.196 0.494 3.200 1.00 0.00 H new ATOM 0 HA THR A 20 -3.116 -2.347 3.863 1.00 0.00 H new ATOM 0 HB THR A 20 -5.339 -0.994 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.814 -0.027 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.706 -2.171 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.592 -3.308 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.232 -2.707 4.916 1.00 0.00 H new ATOM 261 N LEU A 21 -2.651 -3.443 1.792 1.00 0.00 N ATOM 262 CA LEU A 21 -2.321 -4.147 0.565 1.00 0.00 C ATOM 263 C LEU A 21 -3.234 -5.366 0.420 1.00 0.00 C ATOM 264 O LEU A 21 -3.251 -6.240 1.285 1.00 0.00 O ATOM 265 CB LEU A 21 -0.830 -4.487 0.526 1.00 0.00 C ATOM 266 CG LEU A 21 -0.439 -5.691 -0.334 1.00 0.00 C ATOM 267 CD1 LEU A 21 -1.075 -5.603 -1.722 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.082 -5.840 -0.408 1.00 0.00 C ATOM 0 H LEU A 21 -2.506 -3.982 2.645 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.501 -3.509 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.288 -3.614 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.492 -4.669 1.546 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.828 -6.592 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.781 -6.471 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.160 -5.581 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.738 -4.694 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.333 -6.703 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.515 -4.941 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.483 -5.982 0.596 1.00 0.00 H new ATOM 280 N PHE A 22 -3.971 -5.386 -0.681 1.00 0.00 N ATOM 281 CA PHE A 22 -4.884 -6.483 -0.951 1.00 0.00 C ATOM 282 C PHE A 22 -4.391 -7.332 -2.125 1.00 0.00 C ATOM 283 O PHE A 22 -4.599 -6.975 -3.283 1.00 0.00 O ATOM 284 CB PHE A 22 -6.234 -5.863 -1.317 1.00 0.00 C ATOM 285 CG PHE A 22 -6.956 -5.204 -0.140 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.536 -5.974 0.819 1.00 0.00 C ATOM 287 CD2 PHE A 22 -7.018 -3.848 -0.053 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.206 -5.363 1.912 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.688 -3.237 1.040 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.268 -4.007 1.999 1.00 0.00 C ATOM 0 H PHE A 22 -3.954 -4.659 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.957 -7.129 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.080 -5.119 -2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.876 -6.638 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.487 -7.051 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.558 -3.236 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.666 -5.975 2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.737 -2.160 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.778 -3.542 2.830 1.00 0.00 H new ATOM 300 N THR A 23 -3.747 -8.438 -1.784 1.00 0.00 N ATOM 301 CA THR A 23 -3.222 -9.340 -2.795 1.00 0.00 C ATOM 302 C THR A 23 -4.103 -10.586 -2.908 1.00 0.00 C ATOM 303 O THR A 23 -4.988 -10.802 -2.080 1.00 0.00 O ATOM 304 CB THR A 23 -1.768 -9.654 -2.440 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.523 -10.914 -3.061 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.577 -9.931 -0.947 1.00 0.00 C ATOM 0 H THR A 23 -3.577 -8.730 -0.822 1.00 0.00 H new ATOM 0 HA THR A 23 -3.238 -8.879 -3.783 1.00 0.00 H new ATOM 0 HB THR A 23 -1.133 -8.820 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.568 -11.125 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.527 -10.148 -0.749 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.881 -9.056 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.186 -10.786 -0.655 1.00 0.00 H new ATOM 314 N LYS A 24 -3.831 -11.373 -3.938 1.00 0.00 N ATOM 315 CA LYS A 24 -4.588 -12.591 -4.169 1.00 0.00 C ATOM 316 C LYS A 24 -3.819 -13.487 -5.142 1.00 0.00 C ATOM 317 O LYS A 24 -2.706 -13.157 -5.548 1.00 0.00 O ATOM 318 CB LYS A 24 -6.009 -12.260 -4.631 1.00 0.00 C ATOM 319 CG LYS A 24 -6.011 -11.735 -6.067 1.00 0.00 C ATOM 320 CD LYS A 24 -7.110 -12.404 -6.895 1.00 0.00 C ATOM 321 CE LYS A 24 -6.583 -12.823 -8.269 1.00 0.00 C ATOM 322 NZ LYS A 24 -6.308 -11.633 -9.104 1.00 0.00 N ATOM 0 H LYS A 24 -3.097 -11.191 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.702 -13.150 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.633 -13.151 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.447 -11.514 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.160 -10.655 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.040 -11.921 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.489 -13.278 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.948 -11.717 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.672 -13.411 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.313 -13.462 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.967 -11.936 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.181 -11.079 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.582 -11.047 -8.644 1.00 0.00 H new ATOM 385 N LEU A 29 0.776 -10.069 -10.335 1.00 0.00 N ATOM 386 CA LEU A 29 0.923 -8.647 -10.076 1.00 0.00 C ATOM 387 C LEU A 29 1.114 -8.423 -8.574 1.00 0.00 C ATOM 388 O LEU A 29 2.039 -7.727 -8.159 1.00 0.00 O ATOM 389 CB LEU A 29 -0.254 -7.870 -10.669 1.00 0.00 C ATOM 390 CG LEU A 29 -0.612 -8.199 -12.120 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.784 -7.342 -12.603 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.610 -8.066 -13.030 1.00 0.00 C ATOM 0 HA LEU A 29 1.813 -8.260 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.132 -8.051 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.031 -6.805 -10.603 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.934 -9.239 -12.165 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.018 -7.595 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.656 -7.531 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.514 -6.288 -12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.328 -8.305 -14.055 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.987 -7.044 -12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.388 -8.754 -12.698 1.00 0.00 H new ATOM 404 N CYS A 30 0.223 -9.026 -7.801 1.00 0.00 N ATOM 405 CA CYS A 30 0.281 -8.901 -6.355 1.00 0.00 C ATOM 406 C CYS A 30 1.719 -9.170 -5.907 1.00 0.00 C ATOM 407 O CYS A 30 2.151 -8.678 -4.865 1.00 0.00 O ATOM 408 CB CYS A 30 -0.715 -9.836 -5.665 1.00 0.00 C ATOM 409 SG CYS A 30 -0.098 -11.558 -5.719 1.00 0.00 S ATOM 0 H CYS A 30 -0.543 -9.603 -8.149 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.007 -7.891 -6.064 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.861 -9.526 -4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.686 -9.773 -6.157 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.104 -12.381 -5.695 1.00 0.00 H new ATOM 415 N ASP A 31 2.421 -9.950 -6.716 1.00 0.00 N ATOM 416 CA ASP A 31 3.802 -10.290 -6.416 1.00 0.00 C ATOM 417 C ASP A 31 4.698 -9.092 -6.735 1.00 0.00 C ATOM 418 O ASP A 31 5.405 -8.591 -5.862 1.00 0.00 O ATOM 419 CB ASP A 31 4.274 -11.473 -7.263 1.00 0.00 C ATOM 420 CG ASP A 31 4.530 -12.764 -6.484 1.00 0.00 C ATOM 421 OD1 ASP A 31 3.912 -12.911 -5.408 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.339 -13.577 -6.983 1.00 0.00 O ATOM 0 H ASP A 31 2.060 -10.356 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 31 3.863 -10.556 -5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.526 -11.672 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.192 -11.189 -7.778 1.00 0.00 H new ATOM 427 N GLU A 32 4.640 -8.667 -7.989 1.00 0.00 N ATOM 428 CA GLU A 32 5.438 -7.538 -8.434 1.00 0.00 C ATOM 429 C GLU A 32 5.179 -6.321 -7.544 1.00 0.00 C ATOM 430 O GLU A 32 6.115 -5.726 -7.012 1.00 0.00 O ATOM 431 CB GLU A 32 5.157 -7.212 -9.902 1.00 0.00 C ATOM 432 CG GLU A 32 6.457 -6.958 -10.667 1.00 0.00 C ATOM 433 CD GLU A 32 6.708 -8.056 -11.703 1.00 0.00 C ATOM 434 OE1 GLU A 32 5.725 -8.439 -12.373 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.877 -8.488 -11.800 1.00 0.00 O ATOM 0 H GLU A 32 4.052 -9.085 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 32 6.491 -7.808 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.615 -8.037 -10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.516 -6.333 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.407 -5.989 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.292 -6.915 -9.968 1.00 0.00 H new ATOM 442 N ALA A 33 3.904 -5.987 -7.408 1.00 0.00 N ATOM 443 CA ALA A 33 3.510 -4.852 -6.591 1.00 0.00 C ATOM 444 C ALA A 33 4.372 -4.816 -5.327 1.00 0.00 C ATOM 445 O ALA A 33 5.113 -3.859 -5.105 1.00 0.00 O ATOM 446 CB ALA A 33 2.016 -4.944 -6.275 1.00 0.00 C ATOM 0 H ALA A 33 3.130 -6.483 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 33 3.672 -3.918 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.721 -4.092 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.446 -4.937 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.815 -5.868 -5.733 1.00 0.00 H new ATOM 452 N LYS A 34 4.246 -5.868 -4.533 1.00 0.00 N ATOM 453 CA LYS A 34 5.004 -5.969 -3.297 1.00 0.00 C ATOM 454 C LYS A 34 6.458 -5.575 -3.563 1.00 0.00 C ATOM 455 O LYS A 34 7.010 -4.721 -2.871 1.00 0.00 O ATOM 456 CB LYS A 34 4.847 -7.361 -2.684 1.00 0.00 C ATOM 457 CG LYS A 34 3.449 -7.543 -2.088 1.00 0.00 C ATOM 458 CD LYS A 34 3.324 -8.897 -1.386 1.00 0.00 C ATOM 459 CE LYS A 34 1.888 -9.422 -1.460 1.00 0.00 C ATOM 460 NZ LYS A 34 1.869 -10.897 -1.340 1.00 0.00 N ATOM 0 H LYS A 34 3.630 -6.659 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 34 4.615 -5.273 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.023 -8.120 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.599 -7.508 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.245 -6.741 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.701 -7.468 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.002 -9.615 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.626 -8.799 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.291 -8.979 -0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.433 -9.122 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.384 -11.306 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.845 -11.255 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.365 -11.168 -0.472 1.00 0.00 H new ATOM 474 N GLU A 35 7.038 -6.216 -4.568 1.00 0.00 N ATOM 475 CA GLU A 35 8.417 -5.943 -4.933 1.00 0.00 C ATOM 476 C GLU A 35 8.618 -4.444 -5.168 1.00 0.00 C ATOM 477 O GLU A 35 9.712 -3.921 -4.965 1.00 0.00 O ATOM 478 CB GLU A 35 8.828 -6.751 -6.166 1.00 0.00 C ATOM 479 CG GLU A 35 8.342 -8.198 -6.059 1.00 0.00 C ATOM 480 CD GLU A 35 9.414 -9.174 -6.550 1.00 0.00 C ATOM 481 OE1 GLU A 35 9.768 -9.073 -7.745 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.854 -9.998 -5.720 1.00 0.00 O ATOM 0 H GLU A 35 6.577 -6.924 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 35 9.058 -6.250 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.414 -6.290 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.913 -6.735 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.086 -8.424 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.433 -8.325 -6.647 1.00 0.00 H new ATOM 489 N VAL A 36 7.543 -3.796 -5.594 1.00 0.00 N ATOM 490 CA VAL A 36 7.587 -2.368 -5.859 1.00 0.00 C ATOM 491 C VAL A 36 7.509 -1.605 -4.535 1.00 0.00 C ATOM 492 O VAL A 36 7.859 -0.428 -4.471 1.00 0.00 O ATOM 493 CB VAL A 36 6.476 -1.983 -6.837 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.692 -0.569 -7.383 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.371 -3.000 -7.976 1.00 0.00 C ATOM 0 H VAL A 36 6.637 -4.234 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 36 8.529 -2.097 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 36 5.532 -1.992 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.888 -0.320 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.694 0.143 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.648 -0.522 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.574 -2.703 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.316 -3.038 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.149 -3.985 -7.565 1.00 0.00 H new ATOM 505 N LEU A 37 7.048 -2.307 -3.511 1.00 0.00 N ATOM 506 CA LEU A 37 6.919 -1.711 -2.192 1.00 0.00 C ATOM 507 C LEU A 37 8.095 -2.154 -1.320 1.00 0.00 C ATOM 508 O LEU A 37 8.027 -2.077 -0.094 1.00 0.00 O ATOM 509 CB LEU A 37 5.550 -2.035 -1.589 1.00 0.00 C ATOM 510 CG LEU A 37 4.343 -1.417 -2.296 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.106 -1.445 -1.396 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.660 -0.004 -2.790 1.00 0.00 C ATOM 0 H LEU A 37 6.759 -3.284 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 37 6.963 -0.624 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.426 -3.118 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.545 -1.705 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 37 4.116 -2.022 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.262 -1.000 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.868 -2.477 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.305 -0.879 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.785 0.412 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.928 0.626 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.493 -0.042 -3.492 1.00 0.00 H new ATOM 524 N GLN A 38 9.147 -2.607 -1.986 1.00 0.00 N ATOM 525 CA GLN A 38 10.337 -3.062 -1.287 1.00 0.00 C ATOM 526 C GLN A 38 11.052 -1.879 -0.632 1.00 0.00 C ATOM 527 O GLN A 38 11.362 -1.918 0.558 1.00 0.00 O ATOM 528 CB GLN A 38 11.275 -3.814 -2.233 1.00 0.00 C ATOM 529 CG GLN A 38 11.181 -5.325 -2.011 1.00 0.00 C ATOM 530 CD GLN A 38 12.572 -5.942 -1.848 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.791 -6.843 -1.054 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.496 -5.409 -2.642 1.00 0.00 N ATOM 0 H GLN A 38 9.200 -2.669 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 38 10.032 -3.756 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.021 -3.578 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.301 -3.482 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.582 -5.529 -1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.670 -5.789 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.245 -4.657 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.456 -5.752 -2.609 1.00 0.00 H new ATOM 541 N PRO A 39 11.300 -0.827 -1.458 1.00 0.00 N ATOM 542 CA PRO A 39 11.973 0.365 -0.972 1.00 0.00 C ATOM 543 C PRO A 39 11.032 1.215 -0.116 1.00 0.00 C ATOM 544 O PRO A 39 11.418 2.278 0.369 1.00 0.00 O ATOM 545 CB PRO A 39 12.452 1.084 -2.222 1.00 0.00 C ATOM 546 CG PRO A 39 11.632 0.517 -3.369 1.00 0.00 C ATOM 547 CD PRO A 39 10.947 -0.746 -2.873 1.00 0.00 C ATOM 0 HA PRO A 39 12.812 0.136 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.307 2.161 -2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.517 0.918 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.894 1.244 -3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.272 0.294 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.867 -0.691 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.292 -1.624 -3.418 1.00 0.00 H new ATOM 555 N TYR A 40 9.816 0.715 0.045 1.00 0.00 N ATOM 556 CA TYR A 40 8.817 1.415 0.834 1.00 0.00 C ATOM 557 C TYR A 40 8.300 0.533 1.972 1.00 0.00 C ATOM 558 O TYR A 40 7.390 0.924 2.701 1.00 0.00 O ATOM 559 CB TYR A 40 7.663 1.721 -0.123 1.00 0.00 C ATOM 560 CG TYR A 40 8.078 2.506 -1.369 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.072 3.885 -1.349 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.458 1.833 -2.513 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.463 4.624 -2.522 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.849 2.572 -3.685 1.00 0.00 C ATOM 565 CZ TYR A 40 8.832 3.931 -3.632 1.00 0.00 C ATOM 566 OH TYR A 40 9.201 4.629 -4.740 1.00 0.00 O ATOM 0 H TYR A 40 9.500 -0.167 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 40 9.241 2.315 1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.204 0.782 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.901 2.287 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.774 4.411 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.462 0.753 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.463 5.704 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.149 2.059 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 40 9.440 4.004 -5.456 1.00 0.00 H new ATOM 576 N LYS A 41 8.904 -0.640 2.089 1.00 0.00 N ATOM 577 CA LYS A 41 8.516 -1.581 3.127 1.00 0.00 C ATOM 578 C LYS A 41 8.756 -0.947 4.499 1.00 0.00 C ATOM 579 O LYS A 41 7.988 -1.173 5.433 1.00 0.00 O ATOM 580 CB LYS A 41 9.235 -2.918 2.933 1.00 0.00 C ATOM 581 CG LYS A 41 10.680 -2.841 3.429 1.00 0.00 C ATOM 582 CD LYS A 41 11.319 -4.230 3.474 1.00 0.00 C ATOM 583 CE LYS A 41 12.827 -4.148 3.228 1.00 0.00 C ATOM 584 NZ LYS A 41 13.535 -3.766 4.470 1.00 0.00 N ATOM 0 H LYS A 41 9.659 -0.961 1.483 1.00 0.00 H new ATOM 0 HA LYS A 41 7.451 -1.805 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.703 -3.702 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.223 -3.192 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.259 -2.191 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.704 -2.393 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.130 -4.690 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.859 -4.871 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.196 -5.110 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.035 -3.419 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.557 -3.715 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.195 -2.838 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.351 -4.477 5.207 1.00 0.00 H new ATOM 598 N ASP A 42 9.824 -0.167 4.577 1.00 0.00 N ATOM 599 CA ASP A 42 10.174 0.501 5.819 1.00 0.00 C ATOM 600 C ASP A 42 9.512 1.880 5.856 1.00 0.00 C ATOM 601 O ASP A 42 9.396 2.488 6.918 1.00 0.00 O ATOM 602 CB ASP A 42 11.687 0.699 5.931 1.00 0.00 C ATOM 603 CG ASP A 42 12.332 0.067 7.165 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.578 -0.556 7.944 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.565 0.220 7.302 1.00 0.00 O ATOM 0 H ASP A 42 10.459 0.017 3.800 1.00 0.00 H new ATOM 0 HA ASP A 42 9.830 -0.122 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.159 0.285 5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.899 1.768 5.936 1.00 0.00 H new ATOM 610 N ARG A 43 9.096 2.332 4.682 1.00 0.00 N ATOM 611 CA ARG A 43 8.449 3.628 4.566 1.00 0.00 C ATOM 612 C ARG A 43 7.121 3.628 5.325 1.00 0.00 C ATOM 613 O ARG A 43 6.668 4.673 5.792 1.00 0.00 O ATOM 614 CB ARG A 43 8.192 3.987 3.102 1.00 0.00 C ATOM 615 CG ARG A 43 9.409 4.676 2.483 1.00 0.00 C ATOM 616 CD ARG A 43 9.516 6.128 2.956 1.00 0.00 C ATOM 617 NE ARG A 43 10.254 6.190 4.237 1.00 0.00 N ATOM 618 CZ ARG A 43 10.310 7.276 5.020 1.00 0.00 C ATOM 619 NH1 ARG A 43 9.672 8.397 4.657 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.004 7.241 6.166 1.00 0.00 N ATOM 0 H ARG A 43 9.194 1.824 3.803 1.00 0.00 H new ATOM 0 HA ARG A 43 9.118 4.372 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.956 3.084 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.324 4.643 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.315 4.134 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.333 4.648 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.027 6.728 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.520 6.553 3.080 1.00 0.00 H new ATOM 0 HE ARG A 43 10.751 5.354 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.144 8.424 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.714 9.224 5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.490 6.388 6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.047 8.068 6.762 1.00 0.00 H new ATOM 634 N PHE A 44 6.533 2.445 5.426 1.00 0.00 N ATOM 635 CA PHE A 44 5.266 2.295 6.120 1.00 0.00 C ATOM 636 C PHE A 44 4.991 0.826 6.449 1.00 0.00 C ATOM 637 O PHE A 44 5.781 -0.050 6.101 1.00 0.00 O ATOM 638 CB PHE A 44 4.176 2.807 5.177 1.00 0.00 C ATOM 639 CG PHE A 44 4.279 2.261 3.752 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.171 0.924 3.526 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.479 3.112 2.710 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.267 0.417 2.203 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.575 2.605 1.387 1.00 0.00 C ATOM 644 CZ PHE A 44 4.467 1.268 1.162 1.00 0.00 C ATOM 0 H PHE A 44 6.911 1.581 5.038 1.00 0.00 H new ATOM 0 HA PHE A 44 5.287 2.851 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.201 2.542 5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.222 3.895 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.012 0.248 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.565 4.174 2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.181 -0.645 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.734 3.281 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.540 0.882 0.156 1.00 0.00 H new ATOM 654 N ILE A 45 3.868 0.602 7.115 1.00 0.00 N ATOM 655 CA ILE A 45 3.479 -0.745 7.495 1.00 0.00 C ATOM 656 C ILE A 45 2.555 -1.326 6.422 1.00 0.00 C ATOM 657 O ILE A 45 1.358 -1.043 6.410 1.00 0.00 O ATOM 658 CB ILE A 45 2.872 -0.753 8.899 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.931 -0.433 9.956 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.160 -2.077 9.182 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.329 0.370 11.111 1.00 0.00 C ATOM 0 H ILE A 45 3.215 1.331 7.401 1.00 0.00 H new ATOM 0 HA ILE A 45 4.354 -1.393 7.548 1.00 0.00 H new ATOM 0 HB ILE A 45 2.119 0.033 8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.360 -1.359 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.745 0.132 9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.738 -2.056 10.187 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.361 -2.223 8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.874 -2.897 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.103 0.584 11.848 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.922 1.307 10.730 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.532 -0.208 11.579 1.00 0.00 H new ATOM 673 N LEU A 46 3.146 -2.127 5.548 1.00 0.00 N ATOM 674 CA LEU A 46 2.390 -2.749 4.474 1.00 0.00 C ATOM 675 C LEU A 46 1.489 -3.839 5.056 1.00 0.00 C ATOM 676 O LEU A 46 1.976 -4.859 5.542 1.00 0.00 O ATOM 677 CB LEU A 46 3.332 -3.250 3.377 1.00 0.00 C ATOM 678 CG LEU A 46 2.662 -3.882 2.155 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.781 -2.866 1.426 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.701 -4.511 1.224 1.00 0.00 C ATOM 0 H LEU A 46 4.139 -2.360 5.561 1.00 0.00 H new ATOM 0 HA LEU A 46 1.738 -2.019 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.942 -2.412 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.010 -3.983 3.815 1.00 0.00 H new ATOM 0 HG LEU A 46 2.010 -4.685 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.317 -3.341 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.006 -2.506 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.392 -2.027 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.198 -4.953 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.396 -3.744 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.249 -5.285 1.761 1.00 0.00 H new ATOM 692 N GLN A 47 0.190 -3.588 4.987 1.00 0.00 N ATOM 693 CA GLN A 47 -0.785 -4.535 5.501 1.00 0.00 C ATOM 694 C GLN A 47 -1.251 -5.474 4.387 1.00 0.00 C ATOM 695 O GLN A 47 -2.052 -5.086 3.538 1.00 0.00 O ATOM 696 CB GLN A 47 -1.971 -3.810 6.139 1.00 0.00 C ATOM 697 CG GLN A 47 -2.417 -4.513 7.423 1.00 0.00 C ATOM 698 CD GLN A 47 -2.032 -5.994 7.400 1.00 0.00 C ATOM 699 OE1 GLN A 47 -2.684 -6.821 6.784 1.00 0.00 O ATOM 700 NE2 GLN A 47 -0.940 -6.280 8.103 1.00 0.00 N ATOM 0 H GLN A 47 -0.210 -2.742 4.582 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.307 -5.133 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.695 -2.779 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.801 -3.772 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.959 -4.028 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.496 -4.416 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.442 -5.539 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.601 -7.241 8.150 1.00 0.00 H new ATOM 709 N GLU A 48 -0.730 -6.692 4.425 1.00 0.00 N ATOM 710 CA GLU A 48 -1.083 -7.689 3.430 1.00 0.00 C ATOM 711 C GLU A 48 -2.393 -8.380 3.812 1.00 0.00 C ATOM 712 O GLU A 48 -2.406 -9.265 4.666 1.00 0.00 O ATOM 713 CB GLU A 48 0.044 -8.709 3.252 1.00 0.00 C ATOM 714 CG GLU A 48 0.841 -8.428 1.977 1.00 0.00 C ATOM 715 CD GLU A 48 2.323 -8.755 2.174 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.982 -7.984 2.904 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.763 -9.769 1.589 1.00 0.00 O ATOM 0 H GLU A 48 -0.066 -7.010 5.130 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.227 -7.185 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.709 -8.676 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.374 -9.715 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.440 -9.021 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.730 -7.380 1.698 1.00 0.00 H new ATOM 724 N VAL A 49 -3.464 -7.950 3.160 1.00 0.00 N ATOM 725 CA VAL A 49 -4.776 -8.517 3.421 1.00 0.00 C ATOM 726 C VAL A 49 -5.082 -9.589 2.374 1.00 0.00 C ATOM 727 O VAL A 49 -4.887 -9.368 1.179 1.00 0.00 O ATOM 728 CB VAL A 49 -5.827 -7.405 3.463 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.221 -7.979 3.725 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.464 -6.347 4.507 1.00 0.00 C ATOM 0 H VAL A 49 -3.450 -7.216 2.452 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.795 -9.002 4.397 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.842 -6.920 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.949 -7.168 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.482 -8.677 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.226 -8.501 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.227 -5.568 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.407 -6.812 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.499 -5.906 4.258 1.00 0.00 H new ATOM 740 N ASP A 50 -5.555 -10.728 2.859 1.00 0.00 N ATOM 741 CA ASP A 50 -5.889 -11.835 1.979 1.00 0.00 C ATOM 742 C ASP A 50 -7.371 -11.755 1.606 1.00 0.00 C ATOM 743 O ASP A 50 -8.236 -12.103 2.408 1.00 0.00 O ATOM 744 CB ASP A 50 -5.647 -13.179 2.669 1.00 0.00 C ATOM 745 CG ASP A 50 -4.233 -13.741 2.513 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.361 -12.967 2.060 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.055 -14.931 2.849 1.00 0.00 O ATOM 0 H ASP A 50 -5.715 -10.908 3.850 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.257 -11.765 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.863 -13.069 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.356 -13.906 2.274 1.00 0.00 H new ATOM 752 N ILE A 51 -7.617 -11.293 0.389 1.00 0.00 N ATOM 753 CA ILE A 51 -8.979 -11.163 -0.100 1.00 0.00 C ATOM 754 C ILE A 51 -9.466 -12.522 -0.608 1.00 0.00 C ATOM 755 O ILE A 51 -10.665 -12.725 -0.796 1.00 0.00 O ATOM 756 CB ILE A 51 -9.069 -10.048 -1.145 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.146 -10.333 -2.331 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.789 -8.683 -0.514 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.626 -9.602 -3.587 1.00 0.00 C ATOM 0 H ILE A 51 -6.897 -11.004 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.647 -10.866 0.708 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.088 -10.021 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.130 -10.020 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.112 -11.406 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.859 -7.908 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.521 -8.488 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.787 -8.679 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.952 -9.821 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.633 -9.935 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.635 -8.528 -3.402 1.00 0.00 H new ATOM 771 N THR A 52 -8.512 -13.417 -0.814 1.00 0.00 N ATOM 772 CA THR A 52 -8.829 -14.751 -1.296 1.00 0.00 C ATOM 773 C THR A 52 -9.532 -15.560 -0.204 1.00 0.00 C ATOM 774 O THR A 52 -10.042 -16.648 -0.463 1.00 0.00 O ATOM 775 CB THR A 52 -7.533 -15.396 -1.791 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.820 -15.702 -0.596 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.626 -14.402 -2.521 1.00 0.00 C ATOM 0 H THR A 52 -7.519 -13.245 -0.656 1.00 0.00 H new ATOM 0 HA THR A 52 -9.529 -14.713 -2.130 1.00 0.00 H new ATOM 0 HB THR A 52 -7.771 -16.226 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.966 -16.126 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.720 -14.911 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.151 -13.998 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.360 -13.589 -1.846 1.00 0.00 H new ATOM 785 N LEU A 53 -9.535 -14.996 0.995 1.00 0.00 N ATOM 786 CA LEU A 53 -10.166 -15.651 2.128 1.00 0.00 C ATOM 787 C LEU A 53 -11.677 -15.417 2.071 1.00 0.00 C ATOM 788 O LEU A 53 -12.140 -14.494 1.402 1.00 0.00 O ATOM 789 CB LEU A 53 -9.522 -15.194 3.439 1.00 0.00 C ATOM 790 CG LEU A 53 -8.165 -15.817 3.773 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.586 -15.215 5.054 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.267 -17.342 3.851 1.00 0.00 C ATOM 0 H LEU A 53 -9.111 -14.093 1.206 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.008 -16.728 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.404 -14.111 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.211 -15.413 4.255 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.472 -15.581 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.621 -15.675 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.455 -14.141 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.269 -15.399 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.289 -17.760 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.980 -17.620 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.605 -17.734 2.891 1.00 0.00 H new ATOM 804 N PRO A 54 -12.422 -16.290 2.800 1.00 0.00 N ATOM 805 CA PRO A 54 -13.871 -16.187 2.838 1.00 0.00 C ATOM 806 C PRO A 54 -14.315 -15.018 3.720 1.00 0.00 C ATOM 807 O PRO A 54 -15.282 -14.327 3.402 1.00 0.00 O ATOM 808 CB PRO A 54 -14.348 -17.534 3.354 1.00 0.00 C ATOM 809 CG PRO A 54 -13.143 -18.175 4.023 1.00 0.00 C ATOM 810 CD PRO A 54 -11.908 -17.394 3.604 1.00 0.00 C ATOM 0 HA PRO A 54 -14.303 -15.974 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.169 -17.413 4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.719 -18.155 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.255 -18.160 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.053 -19.220 3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.357 -17.029 4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.222 -18.016 3.029 1.00 0.00 H new ATOM 818 N GLU A 55 -13.586 -14.832 4.811 1.00 0.00 N ATOM 819 CA GLU A 55 -13.892 -13.759 5.742 1.00 0.00 C ATOM 820 C GLU A 55 -13.708 -12.400 5.064 1.00 0.00 C ATOM 821 O GLU A 55 -14.488 -11.477 5.292 1.00 0.00 O ATOM 822 CB GLU A 55 -13.032 -13.864 7.002 1.00 0.00 C ATOM 823 CG GLU A 55 -11.547 -13.704 6.668 1.00 0.00 C ATOM 824 CD GLU A 55 -10.675 -13.997 7.890 1.00 0.00 C ATOM 825 OE1 GLU A 55 -10.765 -13.206 8.854 1.00 0.00 O ATOM 826 OE2 GLU A 55 -9.939 -15.006 7.834 1.00 0.00 O ATOM 0 H GLU A 55 -12.784 -15.406 5.071 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.935 -13.854 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.332 -13.097 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.199 -14.829 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.279 -14.379 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.357 -12.690 6.316 1.00 0.00 H new ATOM 833 N ASN A 56 -12.671 -12.320 4.243 1.00 0.00 N ATOM 834 CA ASN A 56 -12.374 -11.089 3.531 1.00 0.00 C ATOM 835 C ASN A 56 -13.009 -11.144 2.140 1.00 0.00 C ATOM 836 O ASN A 56 -12.778 -10.263 1.312 1.00 0.00 O ATOM 837 CB ASN A 56 -10.865 -10.905 3.354 1.00 0.00 C ATOM 838 CG ASN A 56 -10.148 -10.930 4.706 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.550 -10.289 5.663 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.067 -11.704 4.730 1.00 0.00 N ATOM 0 H ASN A 56 -12.026 -13.088 4.055 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.773 -10.258 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.471 -11.695 2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.667 -9.959 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.519 -11.788 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.786 -12.214 3.892 1.00 0.00 H new ATOM 847 N SER A 57 -13.797 -12.187 1.925 1.00 0.00 N ATOM 848 CA SER A 57 -14.467 -12.369 0.649 1.00 0.00 C ATOM 849 C SER A 57 -15.048 -11.037 0.168 1.00 0.00 C ATOM 850 O SER A 57 -15.186 -10.814 -1.033 1.00 0.00 O ATOM 851 CB SER A 57 -15.572 -13.423 0.751 1.00 0.00 C ATOM 852 OG SER A 57 -16.250 -13.607 -0.488 1.00 0.00 O ATOM 0 H SER A 57 -13.987 -12.915 2.614 1.00 0.00 H new ATOM 0 HA SER A 57 -13.732 -12.721 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.140 -14.371 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.289 -13.124 1.516 1.00 0.00 H new ATOM 0 HG SER A 57 -16.946 -14.288 -0.382 1.00 0.00 H new ATOM 858 N THR A 58 -15.372 -10.188 1.132 1.00 0.00 N ATOM 859 CA THR A 58 -15.934 -8.884 0.822 1.00 0.00 C ATOM 860 C THR A 58 -14.911 -8.025 0.078 1.00 0.00 C ATOM 861 O THR A 58 -15.156 -7.597 -1.049 1.00 0.00 O ATOM 862 CB THR A 58 -16.418 -8.255 2.130 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.674 -8.884 2.374 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.768 -6.774 1.974 1.00 0.00 C ATOM 0 H THR A 58 -15.256 -10.377 2.128 1.00 0.00 H new ATOM 0 HA THR A 58 -16.788 -8.971 0.150 1.00 0.00 H new ATOM 0 HB THR A 58 -15.648 -8.367 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.058 -8.536 3.205 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.106 -6.377 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.886 -6.225 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.562 -6.664 1.235 1.00 0.00 H new ATOM 872 N TRP A 59 -13.784 -7.798 0.737 1.00 0.00 N ATOM 873 CA TRP A 59 -12.722 -6.997 0.152 1.00 0.00 C ATOM 874 C TRP A 59 -12.558 -7.425 -1.308 1.00 0.00 C ATOM 875 O TRP A 59 -12.364 -6.586 -2.186 1.00 0.00 O ATOM 876 CB TRP A 59 -11.430 -7.124 0.961 1.00 0.00 C ATOM 877 CG TRP A 59 -11.373 -6.212 2.189 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.345 -6.568 3.480 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.336 -4.770 2.187 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.294 -5.465 4.308 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.288 -4.337 3.496 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.342 -3.861 1.114 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.243 -2.984 3.855 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.297 -2.513 1.490 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.249 -2.061 2.803 1.00 0.00 C ATOM 0 H TRP A 59 -13.583 -8.155 1.671 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.978 -5.938 0.178 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.316 -8.159 1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.584 -6.897 0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.360 -7.590 3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.266 -5.476 5.328 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.378 -4.177 0.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.206 -2.670 4.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -11.300 -1.772 0.704 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.216 -1.002 3.011 1.00 0.00 H new ATOM 896 N TYR A 60 -12.642 -8.730 -1.522 1.00 0.00 N ATOM 897 CA TYR A 60 -12.505 -9.279 -2.860 1.00 0.00 C ATOM 898 C TYR A 60 -13.712 -8.916 -3.728 1.00 0.00 C ATOM 899 O TYR A 60 -13.560 -8.306 -4.785 1.00 0.00 O ATOM 900 CB TYR A 60 -12.453 -10.798 -2.689 1.00 0.00 C ATOM 901 CG TYR A 60 -11.980 -11.549 -3.936 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.886 -11.901 -4.915 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.646 -11.874 -4.081 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.441 -12.607 -6.088 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.201 -12.581 -5.254 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.120 -12.912 -6.200 1.00 0.00 C ATOM 907 OH TYR A 60 -10.700 -13.579 -7.308 1.00 0.00 O ATOM 0 H TYR A 60 -12.803 -9.423 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.615 -8.883 -3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.788 -11.037 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.445 -11.157 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.929 -11.647 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.936 -11.598 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.140 -12.888 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.161 -12.842 -5.380 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.733 -13.728 -7.253 1.00 0.00 H new ATOM 917 N GLU A 61 -14.883 -9.308 -3.249 1.00 0.00 N ATOM 918 CA GLU A 61 -16.116 -9.032 -3.968 1.00 0.00 C ATOM 919 C GLU A 61 -16.108 -7.598 -4.503 1.00 0.00 C ATOM 920 O GLU A 61 -16.596 -7.340 -5.602 1.00 0.00 O ATOM 921 CB GLU A 61 -17.336 -9.279 -3.079 1.00 0.00 C ATOM 922 CG GLU A 61 -17.572 -10.777 -2.875 1.00 0.00 C ATOM 923 CD GLU A 61 -18.999 -11.165 -3.265 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.252 -11.244 -4.486 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.805 -11.375 -2.333 1.00 0.00 O ATOM 0 H GLU A 61 -15.005 -9.814 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.181 -9.715 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.190 -8.795 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.218 -8.827 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.860 -11.346 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.392 -11.038 -1.832 1.00 0.00 H new ATOM 932 N ARG A 62 -15.550 -6.704 -3.701 1.00 0.00 N ATOM 933 CA ARG A 62 -15.473 -5.303 -4.080 1.00 0.00 C ATOM 934 C ARG A 62 -14.225 -5.052 -4.929 1.00 0.00 C ATOM 935 O ARG A 62 -14.252 -4.240 -5.852 1.00 0.00 O ATOM 936 CB ARG A 62 -15.432 -4.400 -2.846 1.00 0.00 C ATOM 937 CG ARG A 62 -14.187 -4.680 -2.002 1.00 0.00 C ATOM 938 CD ARG A 62 -14.085 -3.698 -0.833 1.00 0.00 C ATOM 939 NE ARG A 62 -13.839 -2.330 -1.341 1.00 0.00 N ATOM 940 CZ ARG A 62 -13.833 -1.232 -0.572 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.058 -1.336 0.744 1.00 0.00 N ATOM 942 NH2 ARG A 62 -13.600 -0.032 -1.120 1.00 0.00 N ATOM 0 H ARG A 62 -15.147 -6.922 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.365 -5.066 -4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.438 -3.355 -3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.327 -4.560 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.223 -5.701 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.296 -4.603 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.005 -3.718 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.277 -3.998 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.663 -2.215 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.234 -2.250 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.054 -0.501 1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.427 0.046 -2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.595 0.804 -0.535 1.00 0.00 H new ATOM 956 N TYR A 63 -13.161 -5.763 -4.586 1.00 0.00 N ATOM 957 CA TYR A 63 -11.906 -5.626 -5.305 1.00 0.00 C ATOM 958 C TYR A 63 -11.389 -6.990 -5.769 1.00 0.00 C ATOM 959 O TYR A 63 -10.381 -7.481 -5.263 1.00 0.00 O ATOM 960 CB TYR A 63 -10.911 -5.030 -4.307 1.00 0.00 C ATOM 961 CG TYR A 63 -11.183 -3.566 -3.957 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.445 -2.654 -4.959 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.166 -3.157 -2.639 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.700 -1.276 -4.630 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.421 -1.778 -2.310 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.676 -0.906 -3.321 1.00 0.00 C ATOM 967 OH TYR A 63 -11.918 0.396 -3.010 1.00 0.00 O ATOM 0 H TYR A 63 -13.142 -6.436 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.036 -5.002 -6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.931 -5.622 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.905 -5.114 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.459 -2.974 -5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.962 -3.871 -1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.906 -0.552 -5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.410 -1.444 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.520 0.785 -3.678 1.00 0.00 H new ATOM 977 N LYS A 64 -12.103 -7.563 -6.727 1.00 0.00 N ATOM 978 CA LYS A 64 -11.730 -8.860 -7.265 1.00 0.00 C ATOM 979 C LYS A 64 -11.096 -8.671 -8.644 1.00 0.00 C ATOM 980 O LYS A 64 -10.444 -9.577 -9.161 1.00 0.00 O ATOM 981 CB LYS A 64 -12.932 -9.806 -7.265 1.00 0.00 C ATOM 982 CG LYS A 64 -14.018 -9.313 -8.222 1.00 0.00 C ATOM 983 CD LYS A 64 -15.328 -10.074 -8.005 1.00 0.00 C ATOM 984 CE LYS A 64 -16.505 -9.108 -7.858 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.408 -9.553 -6.772 1.00 0.00 N ATOM 0 H LYS A 64 -12.938 -7.152 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.981 -9.335 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.612 -10.806 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.339 -9.883 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.184 -8.246 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.685 -9.441 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.506 -10.745 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.249 -10.695 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.136 -8.105 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.056 -9.051 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.347 -9.763 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.020 -10.409 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.492 -8.800 -6.060 1.00 0.00 H new ATOM 999 N PHE A 65 -11.308 -7.488 -9.201 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.766 -7.168 -10.511 1.00 0.00 C ATOM 1001 C PHE A 65 -10.137 -5.773 -10.519 1.00 0.00 C ATOM 1002 O PHE A 65 -9.895 -5.204 -11.582 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.934 -7.194 -11.498 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.224 -6.580 -10.951 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.288 -5.245 -10.698 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.308 -7.368 -10.717 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.485 -4.675 -10.190 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.505 -6.798 -10.209 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.569 -5.464 -9.957 1.00 0.00 C ATOM 0 H PHE A 65 -11.848 -6.739 -8.769 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.992 -7.887 -10.778 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.644 -6.659 -12.402 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.129 -8.227 -11.787 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.428 -4.619 -10.884 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.258 -8.428 -10.918 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.535 -3.615 -9.988 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.365 -7.425 -10.023 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.480 -5.030 -9.572 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.891 -5.263 -9.321 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.295 -3.946 -9.177 1.00 0.00 C ATOM 1021 C ASP A 66 -8.089 -4.036 -8.240 1.00 0.00 C ATOM 1022 O ASP A 66 -7.784 -3.085 -7.522 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.291 -2.955 -8.572 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.763 -3.267 -8.847 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.267 -4.225 -8.221 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.352 -2.542 -9.677 1.00 0.00 O ATOM 0 H ASP A 66 -10.094 -5.738 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.998 -3.600 -10.167 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.138 -2.922 -7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.068 -1.959 -8.956 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.437 -5.188 -8.276 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.271 -5.415 -7.439 1.00 0.00 C ATOM 1033 C ILE A 67 -5.021 -5.477 -8.319 1.00 0.00 C ATOM 1034 O ILE A 67 -5.119 -5.659 -9.532 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.470 -6.656 -6.567 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.469 -7.622 -7.208 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.881 -6.267 -5.146 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.713 -8.836 -6.309 1.00 0.00 C ATOM 0 H ILE A 67 -7.694 -5.975 -8.872 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.133 -4.585 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.517 -7.179 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.411 -7.106 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.091 -7.952 -8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.016 -7.168 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.104 -5.647 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.817 -5.709 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.427 -9.506 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.773 -9.363 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.114 -8.505 -5.351 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.843 -5.317 -7.657 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.815 -5.105 -6.220 1.00 0.00 C ATOM 1052 C PRO A 68 -4.247 -3.681 -5.867 1.00 0.00 C ATOM 1053 O PRO A 68 -4.040 -2.754 -6.649 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.386 -5.413 -5.805 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.556 -5.333 -7.076 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.512 -5.333 -8.258 1.00 0.00 C ATOM 0 HA PRO A 68 -4.517 -5.746 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.032 -4.698 -5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.315 -6.403 -5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.947 -4.429 -7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.871 -6.179 -7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.354 -4.463 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.370 -6.215 -8.883 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.839 -3.550 -4.689 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.302 -2.254 -4.223 1.00 0.00 C ATOM 1066 C VAL A 69 -4.381 -1.760 -3.107 1.00 0.00 C ATOM 1067 O VAL A 69 -3.782 -2.561 -2.391 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.768 -2.346 -3.793 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.221 -1.052 -3.113 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.668 -2.685 -4.982 1.00 0.00 C ATOM 0 H VAL A 69 -5.009 -4.321 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.259 -1.520 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.855 -3.154 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.266 -1.143 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.608 -0.871 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.112 -0.219 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.704 -2.744 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.575 -1.909 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.367 -3.644 -5.404 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.296 -0.443 -2.992 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.457 0.168 -1.975 1.00 0.00 C ATOM 1082 C PHE A 70 -4.180 1.333 -1.296 1.00 0.00 C ATOM 1083 O PHE A 70 -4.546 2.308 -1.951 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.210 0.700 -2.683 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.341 -0.389 -3.315 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.592 -0.809 -4.584 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.317 -0.938 -2.608 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.786 -1.819 -5.171 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.489 -1.949 -3.194 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.238 -2.368 -4.463 1.00 0.00 C ATOM 0 H PHE A 70 -4.795 0.219 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.207 -0.566 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.517 1.402 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.609 1.260 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.405 -0.374 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.117 -0.605 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.985 -2.152 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.301 -2.385 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.852 -3.137 -4.909 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.364 1.194 0.009 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.036 2.223 0.784 1.00 0.00 C ATOM 1102 C HIS A 71 -4.042 2.868 1.752 1.00 0.00 C ATOM 1103 O HIS A 71 -3.503 2.198 2.631 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.268 1.654 1.490 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.292 1.058 0.554 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.456 0.457 1.001 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.315 0.977 -0.807 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.140 0.037 -0.053 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.431 0.360 -1.172 1.00 0.00 N ATOM 0 H HIS A 71 -4.059 0.384 0.549 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.400 3.005 0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.948 0.888 2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.740 2.447 2.071 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.739 0.355 1.976 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.553 1.352 -1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.092 -0.472 -0.030 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.830 4.161 1.558 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.911 4.904 2.403 1.00 0.00 C ATOM 1119 C LEU A 72 -3.705 5.671 3.463 1.00 0.00 C ATOM 1120 O LEU A 72 -4.448 6.595 3.138 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.001 5.793 1.554 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.496 5.591 1.745 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.299 6.691 1.039 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.141 5.490 3.230 1.00 0.00 C ATOM 0 H LEU A 72 -4.279 4.713 0.828 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.246 4.222 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.239 5.625 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.238 6.834 1.772 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.217 4.645 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.365 6.524 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.077 6.673 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.022 7.661 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.934 5.347 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.438 6.407 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.666 4.644 3.673 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.520 5.259 4.708 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.209 5.895 5.818 1.00 0.00 C ATOM 1138 C ASN A 73 -5.713 5.645 5.688 1.00 0.00 C ATOM 1139 O ASN A 73 -6.511 6.577 5.777 1.00 0.00 O ATOM 1140 CB ASN A 73 -3.980 7.408 5.814 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.908 7.802 6.832 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.124 7.798 8.033 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.743 8.141 6.287 1.00 0.00 N ATOM 0 H ASN A 73 -2.902 4.492 4.973 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.818 5.473 6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.677 7.731 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.913 7.921 6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.963 8.419 6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.630 8.123 5.274 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.055 4.382 5.480 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.449 3.998 5.338 1.00 0.00 C ATOM 1152 C GLY A 74 -8.123 4.787 4.213 1.00 0.00 C ATOM 1153 O GLY A 74 -9.264 5.225 4.355 1.00 0.00 O ATOM 0 H GLY A 74 -5.391 3.612 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.516 2.930 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.976 4.173 6.276 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.389 4.944 3.122 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.902 5.673 1.974 1.00 0.00 C ATOM 1159 C GLN A 75 -7.231 5.180 0.690 1.00 0.00 C ATOM 1160 O GLN A 75 -6.007 5.223 0.568 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.708 7.180 2.150 1.00 0.00 C ATOM 1162 CG GLN A 75 -8.549 7.963 1.140 1.00 0.00 C ATOM 1163 CD GLN A 75 -8.485 9.465 1.420 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.571 9.916 2.550 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -8.329 10.213 0.331 1.00 0.00 N ATOM 0 H GLN A 75 -6.443 4.579 3.008 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.973 5.485 1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.987 7.470 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.655 7.432 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.191 7.762 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.584 7.625 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.264 9.771 -0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.274 11.228 0.413 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.061 4.723 -0.236 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.564 4.223 -1.506 1.00 0.00 C ATOM 1176 C PHE A 76 -6.516 5.170 -2.096 1.00 0.00 C ATOM 1177 O PHE A 76 -6.834 6.298 -2.468 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.760 4.149 -2.457 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.429 4.521 -3.904 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.627 3.713 -4.648 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.936 5.661 -4.446 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.320 4.058 -5.990 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.629 6.006 -5.789 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.827 5.198 -6.532 1.00 0.00 C ATOM 0 H PHE A 76 -9.075 4.689 -0.132 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.096 3.249 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.165 3.137 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.543 4.814 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.224 2.808 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.572 6.304 -3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.684 3.416 -6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.033 6.910 -6.220 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.592 5.461 -7.553 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.289 4.675 -2.163 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.193 5.463 -2.701 1.00 0.00 C ATOM 1196 C LEU A 77 -4.037 5.159 -4.193 1.00 0.00 C ATOM 1197 O LEU A 77 -3.835 6.068 -4.997 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.917 5.232 -1.889 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.686 4.794 -2.685 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.070 5.976 -3.436 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.668 4.096 -1.780 1.00 0.00 C ATOM 0 H LEU A 77 -5.029 3.738 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.410 6.528 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.674 6.154 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.124 4.476 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.003 4.067 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.197 5.638 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.804 6.390 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.770 6.744 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.197 3.795 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.350 4.781 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.125 3.215 -1.330 1.00 0.00 H new ATOM 1213 N MET A 78 -4.136 3.878 -4.517 1.00 0.00 N ATOM 1214 CA MET A 78 -4.007 3.444 -5.897 1.00 0.00 C ATOM 1215 C MET A 78 -4.236 1.936 -6.020 1.00 0.00 C ATOM 1216 O MET A 78 -3.947 1.182 -5.092 1.00 0.00 O ATOM 1217 CB MET A 78 -2.611 3.792 -6.415 1.00 0.00 C ATOM 1218 CG MET A 78 -1.560 2.837 -5.845 1.00 0.00 C ATOM 1219 SD MET A 78 0.071 3.536 -6.040 1.00 0.00 S ATOM 1220 CE MET A 78 0.958 2.601 -4.805 1.00 0.00 C ATOM 0 H MET A 78 -4.304 3.127 -3.847 1.00 0.00 H new ATOM 0 HA MET A 78 -4.762 3.958 -6.492 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.600 3.742 -7.504 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.363 4.817 -6.141 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.761 2.650 -4.790 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.616 1.875 -6.355 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.013 2.875 -4.829 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.548 2.820 -3.819 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.856 1.536 -5.012 1.00 0.00 H new ATOM 1230 N MET A 79 -4.753 1.540 -7.174 1.00 0.00 N ATOM 1231 CA MET A 79 -5.023 0.136 -7.431 1.00 0.00 C ATOM 1232 C MET A 79 -4.745 -0.218 -8.894 1.00 0.00 C ATOM 1233 O MET A 79 -4.753 0.656 -9.759 1.00 0.00 O ATOM 1234 CB MET A 79 -6.485 -0.171 -7.100 1.00 0.00 C ATOM 1235 CG MET A 79 -7.427 0.777 -7.845 1.00 0.00 C ATOM 1236 SD MET A 79 -9.124 0.313 -7.544 1.00 0.00 S ATOM 1237 CE MET A 79 -9.834 1.921 -7.233 1.00 0.00 C ATOM 0 H MET A 79 -4.992 2.168 -7.942 1.00 0.00 H new ATOM 0 HA MET A 79 -4.365 -0.462 -6.801 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.714 -1.202 -7.369 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.645 -0.079 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.258 1.803 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.217 0.746 -8.914 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.916 1.872 -7.359 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.601 2.231 -6.214 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.419 2.644 -7.936 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.506 -1.500 -9.124 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.226 -1.980 -10.466 1.00 0.00 C ATOM 1249 C HIS A 80 -2.726 -1.875 -10.747 1.00 0.00 C ATOM 1250 O HIS A 80 -2.287 -2.070 -11.879 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.076 -1.234 -11.498 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.481 -0.934 -11.034 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.272 0.038 -11.621 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.228 -1.487 -10.036 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.440 0.061 -10.996 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.410 -0.885 -10.014 1.00 0.00 N ATOM 0 H HIS A 80 -4.500 -2.222 -8.403 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.502 -3.032 -10.545 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.581 -0.297 -11.753 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.125 -1.827 -12.411 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.002 0.635 -12.402 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.911 -2.281 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.270 0.714 -11.224 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.980 -1.568 -9.696 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.538 -1.435 -9.814 1.00 0.00 C ATOM 1266 C ARG A 81 0.024 -0.665 -8.617 1.00 0.00 C ATOM 1267 O ARG A 81 -0.666 -0.475 -7.617 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.157 -0.706 -11.105 1.00 0.00 C ATOM 1269 CG ARG A 81 0.554 -1.650 -12.077 1.00 0.00 C ATOM 1270 CD ARG A 81 2.036 -1.293 -12.203 1.00 0.00 C ATOM 1271 NE ARG A 81 2.468 -1.413 -13.614 1.00 0.00 N ATOM 1272 CZ ARG A 81 2.611 -2.578 -14.259 1.00 0.00 C ATOM 1273 NH1 ARG A 81 2.359 -3.731 -13.624 1.00 0.00 N ATOM 1274 NH2 ARG A 81 3.007 -2.591 -15.539 1.00 0.00 N ATOM 0 H ARG A 81 -2.348 -1.407 -8.758 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.113 -2.438 -9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.052 -0.300 -11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.492 0.139 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.452 -2.678 -11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.079 -1.595 -13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.205 -0.277 -11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.632 -1.954 -11.574 1.00 0.00 H new ATOM 0 HE ARG A 81 2.669 -0.555 -14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.058 -3.721 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.468 -4.618 -14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.200 -1.714 -16.022 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.116 -3.478 -16.030 1.00 0.00 H new ATOM 1288 N VAL A 82 1.272 -0.243 -8.759 1.00 0.00 N ATOM 1289 CA VAL A 82 1.935 0.502 -7.702 1.00 0.00 C ATOM 1290 C VAL A 82 2.611 1.736 -8.301 1.00 0.00 C ATOM 1291 O VAL A 82 3.819 1.734 -8.537 1.00 0.00 O ATOM 1292 CB VAL A 82 2.909 -0.409 -6.952 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.771 0.395 -5.976 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.162 -1.532 -6.227 1.00 0.00 C ATOM 0 H VAL A 82 1.841 -0.403 -9.590 1.00 0.00 H new ATOM 0 HA VAL A 82 1.209 0.853 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 82 3.572 -0.867 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.454 -0.276 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.344 1.141 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.129 0.894 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.877 -2.165 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.464 -1.101 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.612 -2.131 -6.953 1.00 0.00 H new ATOM 1304 N ASN A 83 1.804 2.762 -8.529 1.00 0.00 N ATOM 1305 CA ASN A 83 2.310 4.001 -9.095 1.00 0.00 C ATOM 1306 C ASN A 83 3.149 4.732 -8.045 1.00 0.00 C ATOM 1307 O ASN A 83 2.693 5.708 -7.451 1.00 0.00 O ATOM 1308 CB ASN A 83 1.164 4.924 -9.512 1.00 0.00 C ATOM 1309 CG ASN A 83 0.294 4.269 -10.586 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.756 3.889 -11.649 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.988 4.157 -10.250 1.00 0.00 N ATOM 0 H ASN A 83 0.803 2.761 -8.332 1.00 0.00 H new ATOM 0 HA ASN A 83 2.909 3.752 -9.971 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.553 5.166 -8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.568 5.863 -9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.650 3.732 -10.899 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.309 4.496 -9.343 1.00 0.00 H new ATOM 1318 N THR A 84 4.360 4.231 -7.848 1.00 0.00 N ATOM 1319 CA THR A 84 5.266 4.825 -6.880 1.00 0.00 C ATOM 1320 C THR A 84 5.125 6.348 -6.882 1.00 0.00 C ATOM 1321 O THR A 84 4.989 6.964 -5.826 1.00 0.00 O ATOM 1322 CB THR A 84 6.683 4.345 -7.203 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.920 4.827 -8.523 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.769 2.824 -7.340 1.00 0.00 C ATOM 0 H THR A 84 4.734 3.421 -8.342 1.00 0.00 H new ATOM 0 HA THR A 84 5.023 4.509 -5.865 1.00 0.00 H new ATOM 0 HB THR A 84 7.366 4.678 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.818 4.562 -8.812 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.795 2.537 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.462 2.356 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.112 2.493 -8.144 1.00 0.00 H new ATOM 1332 N SER A 85 5.164 6.913 -8.080 1.00 0.00 N ATOM 1333 CA SER A 85 5.043 8.353 -8.233 1.00 0.00 C ATOM 1334 C SER A 85 3.972 8.892 -7.282 1.00 0.00 C ATOM 1335 O SER A 85 4.186 9.899 -6.609 1.00 0.00 O ATOM 1336 CB SER A 85 4.705 8.726 -9.678 1.00 0.00 C ATOM 1337 OG SER A 85 5.871 9.046 -10.433 1.00 0.00 O ATOM 0 H SER A 85 5.278 6.399 -8.954 1.00 0.00 H new ATOM 0 HA SER A 85 6.003 8.806 -7.984 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.181 7.897 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.025 9.578 -9.683 1.00 0.00 H new ATOM 0 HG SER A 85 5.614 9.277 -11.350 1.00 0.00 H new ATOM 1343 N LYS A 86 2.844 8.197 -7.256 1.00 0.00 N ATOM 1344 CA LYS A 86 1.741 8.593 -6.399 1.00 0.00 C ATOM 1345 C LYS A 86 2.124 8.353 -4.937 1.00 0.00 C ATOM 1346 O LYS A 86 2.189 9.292 -4.146 1.00 0.00 O ATOM 1347 CB LYS A 86 0.452 7.884 -6.821 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.743 8.837 -6.761 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.318 8.907 -5.345 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.848 8.914 -5.374 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.368 10.246 -4.992 1.00 0.00 N ATOM 0 H LYS A 86 2.671 7.362 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 86 1.541 9.659 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.561 7.495 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.273 7.029 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.435 9.832 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.515 8.503 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.966 8.055 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.956 9.806 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.200 8.652 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.234 8.157 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.408 10.233 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.048 10.481 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.015 10.961 -5.659 1.00 0.00 H new ATOM 1365 N LEU A 87 2.369 7.089 -4.623 1.00 0.00 N ATOM 1366 CA LEU A 87 2.744 6.713 -3.271 1.00 0.00 C ATOM 1367 C LEU A 87 3.714 7.753 -2.708 1.00 0.00 C ATOM 1368 O LEU A 87 3.373 8.488 -1.782 1.00 0.00 O ATOM 1369 CB LEU A 87 3.291 5.284 -3.244 1.00 0.00 C ATOM 1370 CG LEU A 87 4.095 4.897 -2.001 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.228 4.973 -0.743 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.737 3.519 -2.171 1.00 0.00 C ATOM 0 H LEU A 87 2.315 6.312 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 87 1.869 6.707 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.453 4.594 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.923 5.142 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 87 4.904 5.617 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.823 4.693 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.858 5.990 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.385 4.290 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.303 3.268 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.959 2.772 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.407 3.533 -3.030 1.00 0.00 H new ATOM 1384 N GLU A 88 4.904 7.783 -3.290 1.00 0.00 N ATOM 1385 CA GLU A 88 5.926 8.721 -2.858 1.00 0.00 C ATOM 1386 C GLU A 88 5.307 10.096 -2.597 1.00 0.00 C ATOM 1387 O GLU A 88 5.512 10.681 -1.535 1.00 0.00 O ATOM 1388 CB GLU A 88 7.055 8.814 -3.886 1.00 0.00 C ATOM 1389 CG GLU A 88 7.511 7.421 -4.326 1.00 0.00 C ATOM 1390 CD GLU A 88 9.038 7.331 -4.363 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.649 7.617 -3.310 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.560 6.978 -5.442 1.00 0.00 O ATOM 0 H GLU A 88 5.183 7.172 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 88 6.357 8.355 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.716 9.381 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.897 9.358 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.115 6.671 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.106 7.196 -5.313 1.00 0.00 H new ATOM 1399 N LYS A 89 4.563 10.572 -3.584 1.00 0.00 N ATOM 1400 CA LYS A 89 3.914 11.867 -3.475 1.00 0.00 C ATOM 1401 C LYS A 89 3.121 11.926 -2.168 1.00 0.00 C ATOM 1402 O LYS A 89 3.186 12.918 -1.443 1.00 0.00 O ATOM 1403 CB LYS A 89 3.070 12.150 -4.720 1.00 0.00 C ATOM 1404 CG LYS A 89 2.843 13.653 -4.898 1.00 0.00 C ATOM 1405 CD LYS A 89 1.593 14.112 -4.145 1.00 0.00 C ATOM 1406 CE LYS A 89 1.748 15.552 -3.652 1.00 0.00 C ATOM 1407 NZ LYS A 89 2.697 15.612 -2.518 1.00 0.00 N ATOM 0 H LYS A 89 4.395 10.084 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 89 4.657 12.664 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.569 11.747 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.110 11.641 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.712 14.201 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.739 13.886 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.723 14.039 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.411 13.451 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.103 16.185 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.779 15.944 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.297 16.203 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.865 14.652 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.596 16.023 -2.839 1.00 0.00 H new ATOM 1421 N GLN A 90 2.390 10.852 -1.907 1.00 0.00 N ATOM 1422 CA GLN A 90 1.586 10.770 -0.700 1.00 0.00 C ATOM 1423 C GLN A 90 2.485 10.769 0.538 1.00 0.00 C ATOM 1424 O GLN A 90 2.364 11.641 1.398 1.00 0.00 O ATOM 1425 CB GLN A 90 0.686 9.533 -0.724 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.366 9.642 -1.831 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.269 10.857 -1.611 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.170 10.852 -0.788 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.979 11.894 -2.391 1.00 0.00 N ATOM 0 H GLN A 90 2.338 10.032 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 90 0.941 11.648 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.292 8.641 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.193 9.419 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.127 9.722 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.970 8.735 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.211 11.831 -3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.525 12.753 -2.321 1.00 0.00 H new ATOM 1438 N LEU A 91 3.366 9.781 0.590 1.00 0.00 N ATOM 1439 CA LEU A 91 4.285 9.656 1.709 1.00 0.00 C ATOM 1440 C LEU A 91 4.767 11.047 2.126 1.00 0.00 C ATOM 1441 O LEU A 91 4.607 11.443 3.279 1.00 0.00 O ATOM 1442 CB LEU A 91 5.420 8.690 1.364 1.00 0.00 C ATOM 1443 CG LEU A 91 5.078 7.200 1.436 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.014 6.379 0.547 1.00 0.00 C ATOM 1445 CD2 LEU A 91 5.083 6.706 2.884 1.00 0.00 C ATOM 0 H LEU A 91 3.463 9.060 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 91 3.779 9.222 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.768 8.914 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.254 8.884 2.039 1.00 0.00 H new ATOM 0 HG LEU A 91 4.067 7.063 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.749 5.324 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.917 6.710 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.044 6.517 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.837 5.644 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.071 6.859 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.344 7.262 3.461 1.00 0.00 H new