USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 44 HIS : no HE2:sc= 0.358 K(o=0.31,f=-2.5!) USER MOD Set 1.2: A 93 MET CE :methyl -157:sc= -0.0502 (180deg=-0.381) USER MOD Set 2.1: A 34 CYS SG : rot -30:sc= -0.527 USER MOD Set 2.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.15) USER MOD Single : A 21 SER OG : rot -44:sc= 0.184 USER MOD Single : A 22 CYS SG : rot 41:sc= 0.28 USER MOD Single : A 23 SER OG : rot 126:sc= 1.1 USER MOD Single : A 28 GLN : amide:sc= 0.377 X(o=0.38,f=-0.00088) USER MOD Single : A 29 ASN : amide:sc= 0.666 K(o=0.67,f=-0.045) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 70:sc= 0.539 USER MOD Single : A 37 HIS : no HE2:sc= 1.87 K(o=1.9,f=-9.7!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -68:sc= 0.581 USER MOD Single : A 63 SER OG : rot -144:sc= 0.698 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0641) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 2.28 (180deg=2.09) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= 1.78 (180deg=0.849) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -137:sc= 2.39 (180deg=0.72) USER MOD Single : A 88 SER OG : rot -74:sc= 1.16 USER MOD Single : A 89 HIS : no HE2:sc= 0.726 K(o=0.73,f=-3.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.927 -0.262 0.499 1.00 0.00 N ATOM 127 CA PHE A 11 -10.806 0.608 0.863 1.00 0.00 C ATOM 128 C PHE A 11 -9.477 0.182 0.261 1.00 0.00 C ATOM 129 O PHE A 11 -8.423 0.318 0.883 1.00 0.00 O ATOM 130 CB PHE A 11 -10.715 0.652 2.388 1.00 0.00 C ATOM 131 CG PHE A 11 -12.050 0.945 3.036 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.739 2.072 2.581 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.625 0.126 4.024 1.00 0.00 C ATOM 134 CE1 PHE A 11 -13.956 2.453 3.155 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.868 0.482 4.584 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.527 1.656 4.163 1.00 0.00 C ATOM 0 HA PHE A 11 -11.003 1.597 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.338 -0.303 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.995 1.415 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.325 2.658 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.118 -0.769 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.454 3.353 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.318 -0.146 5.338 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.466 1.942 4.613 1.00 0.00 H new ATOM 146 N VAL A 12 -9.509 -0.395 -0.931 1.00 0.00 N ATOM 147 CA VAL A 12 -8.257 -0.822 -1.552 1.00 0.00 C ATOM 148 C VAL A 12 -7.405 0.392 -1.908 1.00 0.00 C ATOM 149 O VAL A 12 -7.884 1.384 -2.465 1.00 0.00 O ATOM 150 CB VAL A 12 -8.405 -1.775 -2.743 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.022 -2.289 -3.171 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.257 -2.984 -2.370 1.00 0.00 C ATOM 0 H VAL A 12 -10.353 -0.575 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.749 -1.423 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.883 -1.224 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.132 -2.966 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.394 -1.446 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.558 -2.820 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.347 -3.645 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.785 -3.522 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.248 -2.650 -2.064 1.00 0.00 H new ATOM 162 N VAL A 13 -6.106 0.250 -1.674 1.00 0.00 N ATOM 163 CA VAL A 13 -5.085 0.965 -2.420 1.00 0.00 C ATOM 164 C VAL A 13 -4.149 0.002 -3.131 1.00 0.00 C ATOM 165 O VAL A 13 -3.752 -1.021 -2.585 1.00 0.00 O ATOM 166 CB VAL A 13 -4.269 1.918 -1.528 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.148 3.012 -0.921 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.491 1.222 -0.408 1.00 0.00 C ATOM 0 H VAL A 13 -5.732 -0.370 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.611 1.566 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.535 2.358 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.537 3.665 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.606 3.596 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.929 2.556 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.944 1.966 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.186 0.693 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.788 0.511 -0.841 1.00 0.00 H new ATOM 178 N LYS A 14 -3.793 0.328 -4.364 1.00 0.00 N ATOM 179 CA LYS A 14 -2.714 -0.315 -5.119 1.00 0.00 C ATOM 180 C LYS A 14 -1.411 0.353 -4.745 1.00 0.00 C ATOM 181 O LYS A 14 -1.390 1.533 -4.409 1.00 0.00 O ATOM 182 CB LYS A 14 -3.016 -0.099 -6.606 1.00 0.00 C ATOM 183 CG LYS A 14 -1.877 -0.155 -7.638 1.00 0.00 C ATOM 184 CD LYS A 14 -2.427 0.235 -9.017 1.00 0.00 C ATOM 185 CE LYS A 14 -1.363 0.222 -10.119 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.086 -1.156 -10.583 1.00 0.00 N ATOM 0 H LYS A 14 -4.258 1.069 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.640 -1.381 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.755 -0.845 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.492 0.877 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.074 0.523 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.451 -1.158 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.229 -0.451 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.866 1.231 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.699 0.830 -10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.444 0.674 -9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.439 -1.125 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.648 -1.700 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.976 -1.612 -10.867 1.00 0.00 H new ATOM 200 N LEU A 15 -0.326 -0.391 -4.858 1.00 0.00 N ATOM 201 CA LEU A 15 1.015 0.036 -4.510 1.00 0.00 C ATOM 202 C LEU A 15 1.932 -0.397 -5.629 1.00 0.00 C ATOM 203 O LEU A 15 2.038 -1.590 -5.916 1.00 0.00 O ATOM 204 CB LEU A 15 1.443 -0.604 -3.188 1.00 0.00 C ATOM 205 CG LEU A 15 0.492 -0.329 -2.043 1.00 0.00 C ATOM 206 CD1 LEU A 15 0.873 -1.073 -0.802 1.00 0.00 C ATOM 207 CD2 LEU A 15 0.395 1.131 -1.627 1.00 0.00 C ATOM 0 H LEU A 15 -0.357 -1.348 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 15 1.056 1.118 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.528 -1.682 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.434 -0.238 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.465 -0.657 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.162 -0.844 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.861 -2.144 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.874 -0.773 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.310 1.228 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.376 1.485 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.049 1.728 -2.471 1.00 0.00 H new ATOM 219 N ARG A 16 2.593 0.570 -6.255 1.00 0.00 N ATOM 220 CA ARG A 16 3.451 0.309 -7.402 1.00 0.00 C ATOM 221 C ARG A 16 4.826 0.907 -7.210 1.00 0.00 C ATOM 222 O ARG A 16 4.986 2.116 -7.075 1.00 0.00 O ATOM 223 CB ARG A 16 2.751 0.772 -8.683 1.00 0.00 C ATOM 224 CG ARG A 16 3.584 0.415 -9.925 1.00 0.00 C ATOM 225 CD ARG A 16 4.390 1.580 -10.493 1.00 0.00 C ATOM 226 NE ARG A 16 3.552 2.689 -10.988 1.00 0.00 N ATOM 227 CZ ARG A 16 2.930 2.788 -12.145 1.00 0.00 C ATOM 228 NH1 ARG A 16 2.913 1.834 -13.033 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.305 3.892 -12.414 1.00 0.00 N ATOM 0 H ARG A 16 2.549 1.552 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 16 3.618 -0.764 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.768 0.306 -8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.591 1.850 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.267 -0.395 -9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.917 0.037 -10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.060 1.958 -9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.015 1.216 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 16 3.440 3.480 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.398 0.956 -12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.415 1.965 -13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.304 4.655 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.815 3.997 -13.302 1.00 0.00 H new ATOM 243 N GLY A 17 5.813 0.028 -7.209 1.00 0.00 N ATOM 244 CA GLY A 17 7.220 0.384 -7.197 1.00 0.00 C ATOM 245 C GLY A 17 8.086 -0.481 -6.266 1.00 0.00 C ATOM 246 O GLY A 17 9.289 -0.591 -6.506 1.00 0.00 O ATOM 0 H GLY A 17 5.653 -0.979 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.610 0.307 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.316 1.427 -6.897 1.00 0.00 H new ATOM 250 N LEU A 18 7.463 -1.063 -5.224 1.00 0.00 N ATOM 251 CA LEU A 18 8.051 -1.753 -4.060 1.00 0.00 C ATOM 252 C LEU A 18 9.278 -2.650 -4.354 1.00 0.00 C ATOM 253 O LEU A 18 9.428 -3.160 -5.465 1.00 0.00 O ATOM 254 CB LEU A 18 6.989 -2.541 -3.234 1.00 0.00 C ATOM 255 CG LEU A 18 5.577 -2.803 -3.803 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.058 -4.133 -3.275 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.535 -1.741 -3.428 1.00 0.00 C ATOM 0 H LEU A 18 6.444 -1.062 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 18 8.435 -0.928 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.424 -3.512 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.860 -2.011 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 18 5.697 -2.789 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.062 -4.320 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.729 -4.934 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.011 -4.099 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.573 -2.003 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.437 -1.695 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.854 -0.769 -3.805 1.00 0.00 H new ATOM 269 N PRO A 19 10.143 -2.917 -3.355 1.00 0.00 N ATOM 270 CA PRO A 19 11.222 -3.890 -3.511 1.00 0.00 C ATOM 271 C PRO A 19 10.653 -5.286 -3.804 1.00 0.00 C ATOM 272 O PRO A 19 9.649 -5.678 -3.210 1.00 0.00 O ATOM 273 CB PRO A 19 12.010 -3.883 -2.191 1.00 0.00 C ATOM 274 CG PRO A 19 11.281 -2.920 -1.251 1.00 0.00 C ATOM 275 CD PRO A 19 10.007 -2.493 -1.968 1.00 0.00 C ATOM 0 HA PRO A 19 11.868 -3.632 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.055 -4.884 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.038 -3.560 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.048 -3.406 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.905 -2.056 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.132 -2.952 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.871 -1.413 -1.905 1.00 0.00 H new ATOM 283 N TRP A 20 11.338 -6.089 -4.625 1.00 0.00 N ATOM 284 CA TRP A 20 11.030 -7.517 -4.850 1.00 0.00 C ATOM 285 C TRP A 20 11.389 -8.432 -3.648 1.00 0.00 C ATOM 286 O TRP A 20 11.694 -9.616 -3.802 1.00 0.00 O ATOM 287 CB TRP A 20 11.640 -7.980 -6.180 1.00 0.00 C ATOM 288 CG TRP A 20 13.047 -7.564 -6.477 1.00 0.00 C ATOM 289 CD1 TRP A 20 14.138 -7.765 -5.704 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.521 -6.876 -7.671 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.251 -7.233 -6.333 1.00 0.00 N ATOM 292 CE2 TRP A 20 14.928 -6.680 -7.556 1.00 0.00 C ATOM 293 CE3 TRP A 20 12.888 -6.410 -8.841 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.676 -6.047 -8.561 1.00 0.00 C ATOM 295 CZ3 TRP A 20 13.632 -5.793 -9.868 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.021 -5.607 -9.727 1.00 0.00 C ATOM 0 H TRP A 20 12.139 -5.764 -5.166 1.00 0.00 H new ATOM 0 HA TRP A 20 9.947 -7.614 -4.927 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.598 -9.069 -6.208 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.004 -7.615 -6.987 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.141 -8.263 -4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.193 -7.248 -5.941 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.820 -6.527 -8.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.739 -5.900 -8.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.134 -5.461 -10.767 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.584 -5.127 -10.514 1.00 0.00 H new ATOM 307 N SER A 21 11.368 -7.868 -2.438 1.00 0.00 N ATOM 308 CA SER A 21 11.575 -8.525 -1.140 1.00 0.00 C ATOM 309 C SER A 21 10.737 -7.848 -0.027 1.00 0.00 C ATOM 310 O SER A 21 11.018 -8.008 1.165 1.00 0.00 O ATOM 311 CB SER A 21 13.080 -8.520 -0.822 1.00 0.00 C ATOM 312 OG SER A 21 13.405 -9.400 0.244 1.00 0.00 O ATOM 0 H SER A 21 11.194 -6.869 -2.329 1.00 0.00 H new ATOM 0 HA SER A 21 11.230 -9.558 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.639 -8.808 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.392 -7.508 -0.564 1.00 0.00 H new ATOM 0 HG SER A 21 12.753 -9.292 0.968 1.00 0.00 H new ATOM 318 N CYS A 22 9.717 -7.063 -0.401 1.00 0.00 N ATOM 319 CA CYS A 22 8.736 -6.484 0.522 1.00 0.00 C ATOM 320 C CYS A 22 7.888 -7.582 1.200 1.00 0.00 C ATOM 321 O CYS A 22 7.815 -8.723 0.728 1.00 0.00 O ATOM 322 CB CYS A 22 7.852 -5.507 -0.274 1.00 0.00 C ATOM 323 SG CYS A 22 7.129 -4.238 0.808 1.00 0.00 S ATOM 0 H CYS A 22 9.549 -6.809 -1.374 1.00 0.00 H new ATOM 0 HA CYS A 22 9.250 -5.951 1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.446 -5.028 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.056 -6.059 -0.774 1.00 0.00 H new ATOM 0 HG CYS A 22 8.023 -3.835 1.661 1.00 0.00 H new ATOM 329 N SER A 23 7.196 -7.236 2.285 1.00 0.00 N ATOM 330 CA SER A 23 6.210 -8.108 2.932 1.00 0.00 C ATOM 331 C SER A 23 5.121 -7.313 3.635 1.00 0.00 C ATOM 332 O SER A 23 5.187 -6.095 3.789 1.00 0.00 O ATOM 333 CB SER A 23 6.854 -9.065 3.949 1.00 0.00 C ATOM 334 OG SER A 23 7.435 -8.362 5.034 1.00 0.00 O ATOM 0 H SER A 23 7.304 -6.333 2.746 1.00 0.00 H new ATOM 0 HA SER A 23 5.767 -8.693 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.101 -9.757 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.618 -9.664 3.453 1.00 0.00 H new ATOM 0 HG SER A 23 7.077 -8.709 5.878 1.00 0.00 H new ATOM 340 N VAL A 24 4.113 -8.032 4.112 1.00 0.00 N ATOM 341 CA VAL A 24 3.017 -7.577 4.942 1.00 0.00 C ATOM 342 C VAL A 24 3.431 -6.754 6.171 1.00 0.00 C ATOM 343 O VAL A 24 2.722 -5.838 6.590 1.00 0.00 O ATOM 344 CB VAL A 24 2.280 -8.861 5.324 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.259 -8.574 6.367 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.538 -9.399 4.109 1.00 0.00 C ATOM 0 H VAL A 24 4.040 -9.029 3.909 1.00 0.00 H new ATOM 0 HA VAL A 24 2.394 -6.869 4.396 1.00 0.00 H new ATOM 0 HB VAL A 24 3.012 -9.580 5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.740 -9.495 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.747 -8.166 7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.540 -7.850 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.012 -10.315 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.819 -8.656 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.251 -9.612 3.312 1.00 0.00 H new ATOM 356 N GLU A 25 4.596 -7.027 6.736 1.00 0.00 N ATOM 357 CA GLU A 25 5.136 -6.259 7.856 1.00 0.00 C ATOM 358 C GLU A 25 5.739 -4.927 7.403 1.00 0.00 C ATOM 359 O GLU A 25 5.862 -3.999 8.196 1.00 0.00 O ATOM 360 CB GLU A 25 6.201 -7.096 8.565 1.00 0.00 C ATOM 361 CG GLU A 25 5.638 -8.384 9.185 1.00 0.00 C ATOM 362 CD GLU A 25 5.438 -9.546 8.185 1.00 0.00 C ATOM 363 OE1 GLU A 25 6.140 -9.610 7.146 1.00 0.00 O ATOM 364 OE2 GLU A 25 4.572 -10.417 8.445 1.00 0.00 O ATOM 0 H GLU A 25 5.200 -7.791 6.432 1.00 0.00 H new ATOM 0 HA GLU A 25 4.316 -6.028 8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.985 -7.355 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.666 -6.496 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.311 -8.715 9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.681 -8.157 9.654 1.00 0.00 H new ATOM 371 N ASP A 26 6.063 -4.812 6.117 1.00 0.00 N ATOM 372 CA ASP A 26 6.775 -3.698 5.497 1.00 0.00 C ATOM 373 C ASP A 26 5.858 -2.743 4.714 1.00 0.00 C ATOM 374 O ASP A 26 6.201 -1.589 4.454 1.00 0.00 O ATOM 375 CB ASP A 26 7.820 -4.288 4.561 1.00 0.00 C ATOM 376 CG ASP A 26 8.944 -3.284 4.228 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.379 -2.523 5.131 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.413 -3.286 3.066 1.00 0.00 O ATOM 0 H ASP A 26 5.821 -5.536 5.441 1.00 0.00 H new ATOM 0 HA ASP A 26 7.224 -3.099 6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.254 -5.177 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.337 -4.609 3.638 1.00 0.00 H new ATOM 383 N VAL A 27 4.643 -3.210 4.419 1.00 0.00 N ATOM 384 CA VAL A 27 3.535 -2.386 3.900 1.00 0.00 C ATOM 385 C VAL A 27 2.979 -1.622 5.089 1.00 0.00 C ATOM 386 O VAL A 27 2.835 -0.402 5.078 1.00 0.00 O ATOM 387 CB VAL A 27 2.436 -3.254 3.235 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.917 -4.397 4.066 1.00 0.00 C ATOM 389 CG2 VAL A 27 1.266 -2.444 2.707 1.00 0.00 C ATOM 0 H VAL A 27 4.391 -4.191 4.535 1.00 0.00 H new ATOM 0 HA VAL A 27 3.891 -1.709 3.124 1.00 0.00 H new ATOM 0 HB VAL A 27 2.974 -3.697 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.154 -4.937 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.737 -5.074 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.484 -4.009 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.534 -3.114 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.800 -1.899 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.622 -1.736 1.958 1.00 0.00 H new ATOM 399 N GLN A 28 2.807 -2.366 6.177 1.00 0.00 N ATOM 400 CA GLN A 28 2.471 -1.878 7.499 1.00 0.00 C ATOM 401 C GLN A 28 3.597 -1.081 8.200 1.00 0.00 C ATOM 402 O GLN A 28 3.307 -0.296 9.097 1.00 0.00 O ATOM 403 CB GLN A 28 2.080 -3.136 8.263 1.00 0.00 C ATOM 404 CG GLN A 28 0.678 -3.627 7.863 1.00 0.00 C ATOM 405 CD GLN A 28 0.162 -4.682 8.814 1.00 0.00 C ATOM 406 OE1 GLN A 28 -0.767 -4.486 9.588 1.00 0.00 O ATOM 407 NE2 GLN A 28 0.714 -5.863 8.729 1.00 0.00 N ATOM 0 H GLN A 28 2.905 -3.381 6.152 1.00 0.00 H new ATOM 0 HA GLN A 28 1.670 -1.140 7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.810 -3.922 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.104 -2.935 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.012 -2.783 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.709 -4.033 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.487 -6.019 8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.372 -6.629 9.309 1.00 0.00 H new ATOM 416 N ASN A 29 4.860 -1.219 7.779 1.00 0.00 N ATOM 417 CA ASN A 29 5.969 -0.313 8.138 1.00 0.00 C ATOM 418 C ASN A 29 5.884 1.015 7.369 1.00 0.00 C ATOM 419 O ASN A 29 5.922 2.084 7.983 1.00 0.00 O ATOM 420 CB ASN A 29 7.283 -1.041 7.806 1.00 0.00 C ATOM 421 CG ASN A 29 8.574 -0.326 8.142 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.673 0.459 9.074 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.611 -0.600 7.380 1.00 0.00 N ATOM 0 H ASN A 29 5.151 -1.980 7.165 1.00 0.00 H new ATOM 0 HA ASN A 29 5.916 -0.067 9.198 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.281 -1.997 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.287 -1.261 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.511 -0.156 7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.515 -1.257 6.605 1.00 0.00 H new ATOM 430 N PHE A 30 5.702 0.966 6.040 1.00 0.00 N ATOM 431 CA PHE A 30 5.463 2.146 5.208 1.00 0.00 C ATOM 432 C PHE A 30 4.243 2.952 5.652 1.00 0.00 C ATOM 433 O PHE A 30 4.216 4.178 5.530 1.00 0.00 O ATOM 434 CB PHE A 30 5.354 1.714 3.742 1.00 0.00 C ATOM 435 CG PHE A 30 5.245 2.874 2.781 1.00 0.00 C ATOM 436 CD1 PHE A 30 6.262 3.839 2.769 1.00 0.00 C ATOM 437 CD2 PHE A 30 4.174 2.981 1.878 1.00 0.00 C ATOM 438 CE1 PHE A 30 6.295 4.824 1.780 1.00 0.00 C ATOM 439 CE2 PHE A 30 4.163 4.023 0.932 1.00 0.00 C ATOM 440 CZ PHE A 30 5.251 4.917 0.848 1.00 0.00 C ATOM 0 H PHE A 30 5.718 0.094 5.511 1.00 0.00 H new ATOM 0 HA PHE A 30 6.312 2.820 5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.228 1.117 3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.482 1.071 3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.027 3.820 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.364 2.268 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.124 5.514 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.319 4.139 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.280 5.667 0.072 1.00 0.00 H new ATOM 450 N LEU A 31 3.258 2.257 6.221 1.00 0.00 N ATOM 451 CA LEU A 31 1.982 2.801 6.679 1.00 0.00 C ATOM 452 C LEU A 31 1.712 2.453 8.136 1.00 0.00 C ATOM 453 O LEU A 31 0.609 2.094 8.545 1.00 0.00 O ATOM 454 CB LEU A 31 0.897 2.371 5.733 1.00 0.00 C ATOM 455 CG LEU A 31 1.114 3.166 4.439 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.604 2.248 3.394 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.405 4.509 4.429 1.00 0.00 C ATOM 0 H LEU A 31 3.333 1.253 6.382 1.00 0.00 H new ATOM 0 HA LEU A 31 2.014 3.890 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.948 1.299 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.088 2.574 6.153 1.00 0.00 H new ATOM 0 HG LEU A 31 2.158 3.444 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.710 2.716 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.174 1.319 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.448 2.032 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.602 5.017 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.668 4.355 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.772 5.120 5.253 1.00 0.00 H new ATOM 469 N SER A 32 2.767 2.609 8.920 1.00 0.00 N ATOM 470 CA SER A 32 2.710 2.663 10.387 1.00 0.00 C ATOM 471 C SER A 32 1.807 3.815 10.894 1.00 0.00 C ATOM 472 O SER A 32 1.355 3.809 12.040 1.00 0.00 O ATOM 473 CB SER A 32 4.135 2.687 10.948 1.00 0.00 C ATOM 474 OG SER A 32 4.166 2.644 12.370 1.00 0.00 O ATOM 0 H SER A 32 3.714 2.705 8.553 1.00 0.00 H new ATOM 0 HA SER A 32 2.228 1.762 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.692 1.838 10.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.641 3.589 10.605 1.00 0.00 H new ATOM 0 HG SER A 32 5.096 2.660 12.678 1.00 0.00 H new ATOM 480 N ASP A 33 1.453 4.756 10.008 1.00 0.00 N ATOM 481 CA ASP A 33 0.356 5.725 10.130 1.00 0.00 C ATOM 482 C ASP A 33 -1.021 5.072 10.372 1.00 0.00 C ATOM 483 O ASP A 33 -1.920 5.700 10.935 1.00 0.00 O ATOM 484 CB ASP A 33 0.196 6.506 8.803 1.00 0.00 C ATOM 485 CG ASP A 33 1.463 7.102 8.177 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.442 6.355 7.938 1.00 0.00 O ATOM 487 OD2 ASP A 33 1.428 8.300 7.807 1.00 0.00 O ATOM 0 H ASP A 33 1.959 4.868 9.129 1.00 0.00 H new ATOM 0 HA ASP A 33 0.626 6.352 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.259 5.838 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.510 7.319 8.974 1.00 0.00 H new ATOM 492 N CYS A 34 -1.220 3.852 9.862 1.00 0.00 N ATOM 493 CA CYS A 34 -2.462 3.471 9.190 1.00 0.00 C ATOM 494 C CYS A 34 -3.065 2.152 9.695 1.00 0.00 C ATOM 495 O CYS A 34 -2.375 1.279 10.231 1.00 0.00 O ATOM 496 CB CYS A 34 -2.162 3.390 7.674 1.00 0.00 C ATOM 497 SG CYS A 34 -3.461 4.229 6.746 1.00 0.00 S ATOM 0 H CYS A 34 -0.526 3.105 9.904 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.216 4.226 9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.196 3.848 7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.096 2.348 7.363 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.583 4.145 7.397 1.00 0.00 H new ATOM 503 N THR A 35 -4.367 1.994 9.460 1.00 0.00 N ATOM 504 CA THR A 35 -5.158 0.796 9.771 1.00 0.00 C ATOM 505 C THR A 35 -5.486 0.071 8.467 1.00 0.00 C ATOM 506 O THR A 35 -5.984 0.689 7.530 1.00 0.00 O ATOM 507 CB THR A 35 -6.496 1.153 10.462 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.443 2.375 11.173 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.930 0.074 11.454 1.00 0.00 C ATOM 0 H THR A 35 -4.928 2.729 9.028 1.00 0.00 H new ATOM 0 HA THR A 35 -4.569 0.174 10.445 1.00 0.00 H new ATOM 0 HB THR A 35 -7.212 1.237 9.645 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.384 3.120 10.539 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.873 0.364 11.917 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.059 -0.872 10.929 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.168 -0.040 12.225 1.00 0.00 H new ATOM 517 N ILE A 36 -5.269 -1.242 8.406 1.00 0.00 N ATOM 518 CA ILE A 36 -5.713 -2.127 7.313 1.00 0.00 C ATOM 519 C ILE A 36 -6.880 -2.991 7.843 1.00 0.00 C ATOM 520 O ILE A 36 -7.046 -3.167 9.051 1.00 0.00 O ATOM 521 CB ILE A 36 -4.491 -2.981 6.826 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.718 -2.292 5.684 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.816 -4.395 6.309 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.735 -1.204 6.109 1.00 0.00 C ATOM 0 H ILE A 36 -4.763 -1.742 9.137 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.075 -1.566 6.451 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.907 -3.069 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.170 -3.054 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.440 -1.854 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.895 -4.890 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.290 -4.972 7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.493 -4.324 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.248 -0.789 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.272 -0.413 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.982 -1.632 6.771 1.00 0.00 H new ATOM 536 N HIS A 37 -7.696 -3.546 6.945 1.00 0.00 N ATOM 537 CA HIS A 37 -8.988 -4.199 7.244 1.00 0.00 C ATOM 538 C HIS A 37 -8.899 -5.698 7.628 1.00 0.00 C ATOM 539 O HIS A 37 -9.896 -6.356 7.931 1.00 0.00 O ATOM 540 CB HIS A 37 -9.937 -3.746 6.111 1.00 0.00 C ATOM 541 CG HIS A 37 -11.063 -4.559 5.537 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.790 -5.552 6.139 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.753 -4.192 4.410 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.875 -5.793 5.394 1.00 0.00 C ATOM 545 NE2 HIS A 37 -12.902 -4.988 4.318 1.00 0.00 N ATOM 0 H HIS A 37 -7.474 -3.558 5.950 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.425 -3.879 8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.389 -2.816 6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.293 -3.494 5.268 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -11.546 -6.027 7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.460 -3.421 3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.626 -6.533 5.626 1.00 0.00 H new ATOM 553 N ASP A 38 -7.675 -6.197 7.779 1.00 0.00 N ATOM 554 CA ASP A 38 -7.336 -7.394 8.565 1.00 0.00 C ATOM 555 C ASP A 38 -5.964 -7.234 9.244 1.00 0.00 C ATOM 556 O ASP A 38 -5.867 -7.175 10.471 1.00 0.00 O ATOM 557 CB ASP A 38 -7.345 -8.648 7.680 1.00 0.00 C ATOM 558 CG ASP A 38 -6.758 -9.848 8.446 1.00 0.00 C ATOM 559 OD1 ASP A 38 -7.494 -10.496 9.226 1.00 0.00 O ATOM 560 OD2 ASP A 38 -5.544 -10.114 8.265 1.00 0.00 O ATOM 0 H ASP A 38 -6.858 -5.768 7.344 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.094 -7.510 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.364 -8.872 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.765 -8.467 6.775 1.00 0.00 H new ATOM 565 N GLY A 39 -4.915 -7.142 8.422 1.00 0.00 N ATOM 566 CA GLY A 39 -3.519 -6.997 8.835 1.00 0.00 C ATOM 567 C GLY A 39 -2.539 -7.744 7.934 1.00 0.00 C ATOM 568 O GLY A 39 -1.444 -7.259 7.674 1.00 0.00 O ATOM 0 H GLY A 39 -5.021 -7.168 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.259 -5.939 8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.411 -7.360 9.857 1.00 0.00 H new ATOM 572 N ALA A 40 -2.965 -8.873 7.379 1.00 0.00 N ATOM 573 CA ALA A 40 -2.262 -9.594 6.312 1.00 0.00 C ATOM 574 C ALA A 40 -3.239 -10.126 5.249 1.00 0.00 C ATOM 575 O ALA A 40 -2.884 -10.246 4.078 1.00 0.00 O ATOM 576 CB ALA A 40 -1.527 -10.775 6.961 1.00 0.00 C ATOM 0 H ALA A 40 -3.832 -9.329 7.663 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.571 -8.915 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.991 -11.336 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.818 -10.401 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.249 -11.428 7.450 1.00 0.00 H new ATOM 582 N ALA A 41 -4.501 -10.358 5.626 1.00 0.00 N ATOM 583 CA ALA A 41 -5.580 -10.746 4.710 1.00 0.00 C ATOM 584 C ALA A 41 -6.225 -9.518 4.032 1.00 0.00 C ATOM 585 O ALA A 41 -7.407 -9.530 3.676 1.00 0.00 O ATOM 586 CB ALA A 41 -6.599 -11.601 5.470 1.00 0.00 C ATOM 0 H ALA A 41 -4.807 -10.280 6.596 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.166 -11.344 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.404 -11.893 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.108 -12.494 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.011 -11.025 6.299 1.00 0.00 H new ATOM 592 N GLY A 42 -5.460 -8.428 3.904 1.00 0.00 N ATOM 593 CA GLY A 42 -5.879 -7.165 3.330 1.00 0.00 C ATOM 594 C GLY A 42 -4.670 -6.452 2.749 1.00 0.00 C ATOM 595 O GLY A 42 -4.716 -5.246 2.578 1.00 0.00 O ATOM 0 H GLY A 42 -4.489 -8.412 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.624 -7.335 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.350 -6.544 4.092 1.00 0.00 H new ATOM 599 N VAL A 43 -3.575 -7.172 2.476 1.00 0.00 N ATOM 600 CA VAL A 43 -2.352 -6.702 1.869 1.00 0.00 C ATOM 601 C VAL A 43 -1.813 -7.836 0.993 1.00 0.00 C ATOM 602 O VAL A 43 -1.487 -8.931 1.451 1.00 0.00 O ATOM 603 CB VAL A 43 -1.339 -6.300 2.941 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.523 -4.935 3.611 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.260 -7.177 4.127 1.00 0.00 C ATOM 0 H VAL A 43 -3.531 -8.167 2.694 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.537 -5.815 1.263 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.463 -6.341 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.735 -4.783 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.471 -4.150 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.494 -4.900 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.508 -6.791 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.229 -7.203 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.984 -8.185 3.817 1.00 0.00 H new ATOM 615 N HIS A 44 -1.801 -7.580 -0.302 1.00 0.00 N ATOM 616 CA HIS A 44 -1.808 -8.588 -1.357 1.00 0.00 C ATOM 617 C HIS A 44 -0.735 -8.260 -2.387 1.00 0.00 C ATOM 618 O HIS A 44 -0.933 -7.539 -3.368 1.00 0.00 O ATOM 619 CB HIS A 44 -3.185 -8.729 -2.019 1.00 0.00 C ATOM 620 CG HIS A 44 -4.382 -8.455 -1.155 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.935 -7.212 -1.005 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.198 -9.346 -0.512 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.068 -7.336 -0.311 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.268 -8.621 0.036 1.00 0.00 N ATOM 0 H HIS A 44 -1.785 -6.628 -0.667 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.585 -9.553 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.222 -8.054 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.272 -9.743 -2.409 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.547 -6.339 -1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.046 -10.413 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.731 -6.520 -0.063 1.00 0.00 H new ATOM 632 N PHE A 45 0.447 -8.766 -2.094 1.00 0.00 N ATOM 633 CA PHE A 45 1.617 -8.674 -2.946 1.00 0.00 C ATOM 634 C PHE A 45 1.394 -9.487 -4.226 1.00 0.00 C ATOM 635 O PHE A 45 0.839 -10.588 -4.178 1.00 0.00 O ATOM 636 CB PHE A 45 2.807 -9.147 -2.111 1.00 0.00 C ATOM 637 CG PHE A 45 3.037 -8.250 -0.904 1.00 0.00 C ATOM 638 CD1 PHE A 45 3.892 -7.138 -1.037 1.00 0.00 C ATOM 639 CD2 PHE A 45 2.314 -8.433 0.301 1.00 0.00 C ATOM 640 CE1 PHE A 45 4.042 -6.228 0.025 1.00 0.00 C ATOM 641 CE2 PHE A 45 2.416 -7.481 1.317 1.00 0.00 C ATOM 642 CZ PHE A 45 3.300 -6.409 1.202 1.00 0.00 C ATOM 0 H PHE A 45 0.626 -9.270 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 45 1.813 -7.656 -3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.634 -10.170 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.704 -9.161 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.434 -6.984 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.688 -9.303 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.724 -5.395 -0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.804 -7.576 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.414 -5.715 2.022 1.00 0.00 H new ATOM 652 N ILE A 46 1.794 -8.936 -5.373 1.00 0.00 N ATOM 653 CA ILE A 46 1.609 -9.576 -6.684 1.00 0.00 C ATOM 654 C ILE A 46 2.895 -10.252 -7.115 1.00 0.00 C ATOM 655 O ILE A 46 4.012 -9.790 -6.865 1.00 0.00 O ATOM 656 CB ILE A 46 1.102 -8.599 -7.765 1.00 0.00 C ATOM 657 CG1 ILE A 46 0.191 -7.496 -7.190 1.00 0.00 C ATOM 658 CG2 ILE A 46 0.435 -9.395 -8.902 1.00 0.00 C ATOM 659 CD1 ILE A 46 -0.461 -6.656 -8.269 1.00 0.00 C ATOM 0 H ILE A 46 2.258 -8.029 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 46 0.828 -10.328 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 46 1.957 -8.064 -8.177 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.583 -7.954 -6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.777 -6.850 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.076 -8.706 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.161 -10.079 -9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.405 -9.964 -8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.091 -5.896 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.310 -6.173 -8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.072 -7.294 -8.908 1.00 0.00 H new ATOM 671 N TYR A 47 2.680 -11.376 -7.774 1.00 0.00 N ATOM 672 CA TYR A 47 3.629 -12.438 -7.983 1.00 0.00 C ATOM 673 C TYR A 47 3.488 -12.932 -9.433 1.00 0.00 C ATOM 674 O TYR A 47 2.399 -12.951 -10.020 1.00 0.00 O ATOM 675 CB TYR A 47 3.330 -13.497 -6.921 1.00 0.00 C ATOM 676 CG TYR A 47 4.056 -13.330 -5.593 1.00 0.00 C ATOM 677 CD1 TYR A 47 5.389 -13.761 -5.455 1.00 0.00 C ATOM 678 CD2 TYR A 47 3.390 -12.783 -4.481 1.00 0.00 C ATOM 679 CE1 TYR A 47 6.065 -13.621 -4.227 1.00 0.00 C ATOM 680 CE2 TYR A 47 4.057 -12.641 -3.247 1.00 0.00 C ATOM 681 CZ TYR A 47 5.403 -13.052 -3.119 1.00 0.00 C ATOM 682 OH TYR A 47 6.070 -12.889 -1.943 1.00 0.00 O ATOM 0 H TYR A 47 1.777 -11.578 -8.203 1.00 0.00 H new ATOM 0 HA TYR A 47 4.670 -12.135 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.257 -13.498 -6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.582 -14.475 -7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.898 -14.203 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.361 -12.470 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.090 -13.949 -4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.539 -12.218 -2.399 1.00 0.00 H new ATOM 0 HH TYR A 47 5.472 -12.483 -1.281 1.00 0.00 H new ATOM 793 N SER A 54 6.636 -8.807 -7.750 1.00 0.00 N ATOM 794 CA SER A 54 6.724 -7.902 -8.910 1.00 0.00 C ATOM 795 C SER A 54 7.222 -6.478 -8.612 1.00 0.00 C ATOM 796 O SER A 54 7.494 -5.713 -9.539 1.00 0.00 O ATOM 797 CB SER A 54 5.328 -7.792 -9.539 1.00 0.00 C ATOM 798 OG SER A 54 4.395 -7.384 -8.557 1.00 0.00 O ATOM 0 HA SER A 54 7.470 -8.345 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.344 -7.075 -10.360 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.031 -8.753 -9.960 1.00 0.00 H new ATOM 0 HG SER A 54 4.283 -8.098 -7.895 1.00 0.00 H new ATOM 804 N GLY A 55 7.299 -6.086 -7.335 1.00 0.00 N ATOM 805 CA GLY A 55 7.271 -4.672 -6.928 1.00 0.00 C ATOM 806 C GLY A 55 5.933 -3.990 -7.217 1.00 0.00 C ATOM 807 O GLY A 55 5.876 -2.786 -7.458 1.00 0.00 O ATOM 0 H GLY A 55 7.382 -6.737 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.484 -4.603 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.065 -4.135 -7.447 1.00 0.00 H new ATOM 811 N GLU A 56 4.847 -4.755 -7.164 1.00 0.00 N ATOM 812 CA GLU A 56 3.469 -4.279 -7.126 1.00 0.00 C ATOM 813 C GLU A 56 2.669 -5.052 -6.063 1.00 0.00 C ATOM 814 O GLU A 56 2.996 -6.192 -5.712 1.00 0.00 O ATOM 815 CB GLU A 56 2.824 -4.398 -8.522 1.00 0.00 C ATOM 816 CG GLU A 56 3.007 -3.133 -9.379 1.00 0.00 C ATOM 817 CD GLU A 56 1.660 -2.589 -9.870 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.751 -2.375 -9.035 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.489 -2.343 -11.089 1.00 0.00 O ATOM 0 H GLU A 56 4.907 -5.773 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 56 3.461 -3.225 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.258 -5.250 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.759 -4.602 -8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.519 -2.368 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.643 -3.360 -10.235 1.00 0.00 H new ATOM 826 N ALA A 57 1.621 -4.414 -5.533 1.00 0.00 N ATOM 827 CA ALA A 57 0.688 -4.968 -4.550 1.00 0.00 C ATOM 828 C ALA A 57 -0.653 -4.201 -4.534 1.00 0.00 C ATOM 829 O ALA A 57 -0.788 -3.142 -5.145 1.00 0.00 O ATOM 830 CB ALA A 57 1.359 -4.937 -3.179 1.00 0.00 C ATOM 0 H ALA A 57 1.391 -3.454 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 57 0.448 -5.996 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.679 -5.346 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.270 -5.534 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.607 -3.908 -2.919 1.00 0.00 H new ATOM 836 N PHE A 58 -1.630 -4.706 -3.778 1.00 0.00 N ATOM 837 CA PHE A 58 -2.923 -4.067 -3.473 1.00 0.00 C ATOM 838 C PHE A 58 -3.273 -4.311 -1.996 1.00 0.00 C ATOM 839 O PHE A 58 -2.881 -5.327 -1.437 1.00 0.00 O ATOM 840 CB PHE A 58 -4.015 -4.680 -4.355 1.00 0.00 C ATOM 841 CG PHE A 58 -4.023 -4.203 -5.796 1.00 0.00 C ATOM 842 CD1 PHE A 58 -3.129 -4.777 -6.714 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.903 -3.193 -6.232 1.00 0.00 C ATOM 844 CE1 PHE A 58 -3.072 -4.312 -8.040 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.903 -2.788 -7.578 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.959 -3.314 -8.474 1.00 0.00 C ATOM 0 H PHE A 58 -1.541 -5.621 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.855 -2.996 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.900 -5.764 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.986 -4.460 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.480 -5.581 -6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.580 -2.729 -5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.345 -4.723 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.632 -2.070 -7.924 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.915 -2.953 -9.491 1.00 0.00 H new ATOM 856 N VAL A 59 -4.019 -3.424 -1.338 1.00 0.00 N ATOM 857 CA VAL A 59 -4.151 -3.360 0.133 1.00 0.00 C ATOM 858 C VAL A 59 -5.529 -2.827 0.531 1.00 0.00 C ATOM 859 O VAL A 59 -5.797 -1.643 0.371 1.00 0.00 O ATOM 860 CB VAL A 59 -3.063 -2.429 0.702 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.228 -2.139 2.199 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.691 -3.059 0.485 1.00 0.00 C ATOM 0 H VAL A 59 -4.565 -2.708 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.035 -4.366 0.537 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.161 -1.482 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.428 -1.478 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.191 -1.659 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.182 -3.074 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.921 -2.401 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.648 -4.022 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.522 -3.205 -0.582 1.00 0.00 H new ATOM 872 N GLU A 60 -6.403 -3.683 1.054 1.00 0.00 N ATOM 873 CA GLU A 60 -7.678 -3.317 1.690 1.00 0.00 C ATOM 874 C GLU A 60 -7.430 -2.582 3.020 1.00 0.00 C ATOM 875 O GLU A 60 -7.155 -3.207 4.048 1.00 0.00 O ATOM 876 CB GLU A 60 -8.493 -4.595 1.965 1.00 0.00 C ATOM 877 CG GLU A 60 -9.032 -5.266 0.696 1.00 0.00 C ATOM 878 CD GLU A 60 -10.445 -4.795 0.312 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.796 -3.614 0.543 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.220 -5.634 -0.207 1.00 0.00 O ATOM 0 H GLU A 60 -6.242 -4.690 1.049 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.227 -2.656 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.867 -5.306 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.330 -4.348 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.352 -5.063 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.044 -6.346 0.841 1.00 0.00 H new ATOM 887 N LEU A 61 -7.506 -1.251 3.024 1.00 0.00 N ATOM 888 CA LEU A 61 -7.357 -0.461 4.251 1.00 0.00 C ATOM 889 C LEU A 61 -8.580 -0.541 5.180 1.00 0.00 C ATOM 890 O LEU A 61 -9.645 -1.026 4.818 1.00 0.00 O ATOM 891 CB LEU A 61 -6.954 0.987 3.954 1.00 0.00 C ATOM 892 CG LEU A 61 -5.497 1.123 3.529 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.160 2.197 2.541 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.501 1.250 4.668 1.00 0.00 C ATOM 0 H LEU A 61 -7.671 -0.692 2.187 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.537 -0.920 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.595 1.383 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.126 1.596 4.841 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.395 0.160 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.090 2.176 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.714 2.028 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.430 3.169 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.494 1.341 4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.735 2.135 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.558 0.365 5.302 1.00 0.00 H new ATOM 906 N GLY A 62 -8.434 -0.072 6.414 1.00 0.00 N ATOM 907 CA GLY A 62 -9.446 -0.206 7.462 1.00 0.00 C ATOM 908 C GLY A 62 -10.574 0.844 7.422 1.00 0.00 C ATOM 909 O GLY A 62 -11.584 0.693 8.113 1.00 0.00 O ATOM 0 H GLY A 62 -7.596 0.421 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.892 -1.198 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.952 -0.148 8.432 1.00 0.00 H new ATOM 913 N SER A 63 -10.435 1.854 6.560 1.00 0.00 N ATOM 914 CA SER A 63 -11.449 2.820 6.111 1.00 0.00 C ATOM 915 C SER A 63 -10.916 3.549 4.867 1.00 0.00 C ATOM 916 O SER A 63 -9.749 3.401 4.502 1.00 0.00 O ATOM 917 CB SER A 63 -11.759 3.832 7.219 1.00 0.00 C ATOM 918 OG SER A 63 -12.763 4.747 6.809 1.00 0.00 O ATOM 0 H SER A 63 -9.534 2.035 6.118 1.00 0.00 H new ATOM 0 HA SER A 63 -12.371 2.292 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.087 3.305 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.852 4.376 7.483 1.00 0.00 H new ATOM 0 HG SER A 63 -12.572 5.632 7.184 1.00 0.00 H new ATOM 924 N GLU A 64 -11.720 4.391 4.225 1.00 0.00 N ATOM 925 CA GLU A 64 -11.232 5.320 3.195 1.00 0.00 C ATOM 926 C GLU A 64 -10.534 6.537 3.817 1.00 0.00 C ATOM 927 O GLU A 64 -9.763 7.205 3.137 1.00 0.00 O ATOM 928 CB GLU A 64 -12.342 5.748 2.228 1.00 0.00 C ATOM 929 CG GLU A 64 -12.014 5.445 0.748 1.00 0.00 C ATOM 930 CD GLU A 64 -12.974 4.455 0.070 1.00 0.00 C ATOM 931 OE1 GLU A 64 -14.213 4.620 0.161 1.00 0.00 O ATOM 932 OE2 GLU A 64 -12.459 3.512 -0.577 1.00 0.00 O ATOM 0 H GLU A 64 -12.723 4.454 4.398 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.491 4.777 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.267 5.239 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.521 6.817 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.023 6.380 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.001 5.047 0.688 1.00 0.00 H new ATOM 939 N ASP A 65 -10.715 6.798 5.112 1.00 0.00 N ATOM 940 CA ASP A 65 -9.776 7.577 5.913 1.00 0.00 C ATOM 941 C ASP A 65 -8.366 6.974 5.827 1.00 0.00 C ATOM 942 O ASP A 65 -7.408 7.674 5.515 1.00 0.00 O ATOM 943 CB ASP A 65 -10.231 7.485 7.369 1.00 0.00 C ATOM 944 CG ASP A 65 -11.557 8.161 7.697 1.00 0.00 C ATOM 945 OD1 ASP A 65 -11.569 9.348 8.098 1.00 0.00 O ATOM 946 OD2 ASP A 65 -12.596 7.463 7.676 1.00 0.00 O ATOM 0 H ASP A 65 -11.526 6.471 5.637 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.752 8.605 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.306 6.432 7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.457 7.922 7.999 1.00 0.00 H new ATOM 951 N ASP A 66 -8.242 5.661 6.050 1.00 0.00 N ATOM 952 CA ASP A 66 -7.005 4.906 5.860 1.00 0.00 C ATOM 953 C ASP A 66 -6.525 4.954 4.410 1.00 0.00 C ATOM 954 O ASP A 66 -5.339 5.214 4.209 1.00 0.00 O ATOM 955 CB ASP A 66 -7.119 3.523 6.488 1.00 0.00 C ATOM 956 CG ASP A 66 -7.295 3.620 8.009 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.297 3.913 8.710 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.426 3.403 8.500 1.00 0.00 O ATOM 0 H ASP A 66 -9.018 5.084 6.375 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.193 5.388 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.966 2.992 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.226 2.941 6.258 1.00 0.00 H new ATOM 963 N VAL A 67 -7.400 4.865 3.395 1.00 0.00 N ATOM 964 CA VAL A 67 -6.963 5.089 2.013 1.00 0.00 C ATOM 965 C VAL A 67 -6.320 6.461 1.829 1.00 0.00 C ATOM 966 O VAL A 67 -5.200 6.548 1.344 1.00 0.00 O ATOM 967 CB VAL A 67 -8.034 4.837 0.946 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.768 3.510 1.106 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.714 6.008 0.217 1.00 0.00 C ATOM 0 H VAL A 67 -8.390 4.645 3.503 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.205 4.323 1.848 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.423 4.686 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.509 3.406 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.053 2.689 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.267 3.485 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.440 5.620 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.223 6.642 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.962 6.593 -0.312 1.00 0.00 H new ATOM 979 N LYS A 68 -6.996 7.520 2.285 1.00 0.00 N ATOM 980 CA LYS A 68 -6.515 8.913 2.338 1.00 0.00 C ATOM 981 C LYS A 68 -5.154 9.035 3.028 1.00 0.00 C ATOM 982 O LYS A 68 -4.245 9.668 2.493 1.00 0.00 O ATOM 983 CB LYS A 68 -7.552 9.787 3.078 1.00 0.00 C ATOM 984 CG LYS A 68 -8.263 10.826 2.193 1.00 0.00 C ATOM 985 CD LYS A 68 -9.594 10.315 1.625 1.00 0.00 C ATOM 986 CE LYS A 68 -10.627 10.160 2.752 1.00 0.00 C ATOM 987 NZ LYS A 68 -11.901 9.606 2.248 1.00 0.00 N ATOM 0 H LYS A 68 -7.945 7.429 2.648 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.391 9.257 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.303 9.136 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.052 10.307 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.445 11.729 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.606 11.105 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.967 11.010 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.442 9.357 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.226 9.506 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.809 11.129 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.533 9.404 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.354 10.297 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.714 8.727 1.724 1.00 0.00 H new ATOM 1001 N MET A 69 -4.999 8.403 4.191 1.00 0.00 N ATOM 1002 CA MET A 69 -3.748 8.360 4.956 1.00 0.00 C ATOM 1003 C MET A 69 -2.622 7.657 4.195 1.00 0.00 C ATOM 1004 O MET A 69 -1.460 8.047 4.322 1.00 0.00 O ATOM 1005 CB MET A 69 -3.982 7.685 6.309 1.00 0.00 C ATOM 1006 CG MET A 69 -4.888 8.540 7.196 1.00 0.00 C ATOM 1007 SD MET A 69 -4.258 8.847 8.866 1.00 0.00 S ATOM 1008 CE MET A 69 -4.431 7.162 9.511 1.00 0.00 C ATOM 0 H MET A 69 -5.759 7.893 4.641 1.00 0.00 H new ATOM 0 HA MET A 69 -3.429 9.390 5.115 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.435 6.705 6.158 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.027 7.521 6.808 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.052 9.499 6.704 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.859 8.052 7.275 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.091 7.132 10.546 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.477 6.860 9.463 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.829 6.479 8.912 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.972 6.674 3.371 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.057 6.024 2.439 1.00 0.00 C ATOM 1020 C ALA A 70 -1.747 6.873 1.189 1.00 0.00 C ATOM 1021 O ALA A 70 -0.591 6.934 0.770 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.581 4.616 2.124 1.00 0.00 C ATOM 0 H ALA A 70 -3.920 6.299 3.332 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.083 5.924 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.903 4.123 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.641 4.036 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.572 4.688 1.676 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.715 7.620 0.644 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.499 8.590 -0.435 1.00 0.00 C ATOM 1030 C LEU A 71 -1.514 9.706 -0.058 1.00 0.00 C ATOM 1031 O LEU A 71 -0.823 10.218 -0.940 1.00 0.00 O ATOM 1032 CB LEU A 71 -3.811 9.244 -0.897 1.00 0.00 C ATOM 1033 CG LEU A 71 -4.944 8.331 -1.404 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -5.910 9.167 -2.234 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.508 7.119 -2.226 1.00 0.00 C ATOM 0 H LEU A 71 -3.688 7.566 0.946 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.070 8.004 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.202 9.828 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.569 9.947 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.404 7.917 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.718 8.533 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.325 9.964 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.379 9.603 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.387 6.550 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.970 7.455 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.856 6.487 -1.624 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.376 10.058 1.232 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.302 10.967 1.689 1.00 0.00 C ATOM 1049 C LYS A 72 1.093 10.534 1.218 1.00 0.00 C ATOM 1050 O LYS A 72 1.968 11.375 1.007 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.247 11.100 3.220 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.596 11.402 3.874 1.00 0.00 C ATOM 1053 CD LYS A 72 -1.509 11.779 5.363 1.00 0.00 C ATOM 1054 CE LYS A 72 -0.397 11.125 6.209 1.00 0.00 C ATOM 1055 NZ LYS A 72 -0.625 9.685 6.493 1.00 0.00 N ATOM 0 H LYS A 72 -1.991 9.730 1.977 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.561 11.926 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.148 10.175 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.455 11.893 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.074 12.218 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.240 10.529 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.386 12.860 5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.466 11.539 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.555 11.236 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.309 11.662 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.253 9.258 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.374 9.586 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.914 9.200 5.619 1.00 0.00 H new ATOM 1069 N LYS A 73 1.292 9.217 1.063 1.00 0.00 N ATOM 1070 CA LYS A 73 2.558 8.574 0.699 1.00 0.00 C ATOM 1071 C LYS A 73 2.713 8.274 -0.790 1.00 0.00 C ATOM 1072 O LYS A 73 3.679 7.605 -1.147 1.00 0.00 O ATOM 1073 CB LYS A 73 2.729 7.263 1.489 1.00 0.00 C ATOM 1074 CG LYS A 73 2.608 7.355 3.010 1.00 0.00 C ATOM 1075 CD LYS A 73 3.737 8.143 3.673 1.00 0.00 C ATOM 1076 CE LYS A 73 3.551 8.163 5.194 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.123 6.962 5.850 1.00 0.00 N ATOM 0 H LYS A 73 0.539 8.542 1.195 1.00 0.00 H new ATOM 0 HA LYS A 73 3.332 9.298 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.985 6.551 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.708 6.848 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.656 7.822 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.589 6.347 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.698 7.694 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.752 9.163 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.023 9.056 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.488 8.229 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.721 6.863 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.894 6.117 5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.156 7.063 5.919 1.00 0.00 H new ATOM 1091 N ASP A 74 1.798 8.721 -1.655 1.00 0.00 N ATOM 1092 CA ASP A 74 1.622 8.193 -3.018 1.00 0.00 C ATOM 1093 C ASP A 74 2.785 8.294 -4.025 1.00 0.00 C ATOM 1094 O ASP A 74 2.573 7.991 -5.195 1.00 0.00 O ATOM 1095 CB ASP A 74 0.336 8.731 -3.668 1.00 0.00 C ATOM 1096 CG ASP A 74 0.506 10.101 -4.353 1.00 0.00 C ATOM 1097 OD1 ASP A 74 1.132 11.022 -3.777 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.046 10.247 -5.512 1.00 0.00 O ATOM 0 H ASP A 74 1.146 9.472 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 74 1.570 7.124 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.016 8.009 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.438 8.811 -2.905 1.00 0.00 H new ATOM 1103 N ARG A 75 3.977 8.707 -3.595 1.00 0.00 N ATOM 1104 CA ARG A 75 5.226 8.850 -4.341 1.00 0.00 C ATOM 1105 C ARG A 75 6.489 8.813 -3.465 1.00 0.00 C ATOM 1106 O ARG A 75 7.578 9.093 -3.968 1.00 0.00 O ATOM 1107 CB ARG A 75 5.118 10.169 -5.130 1.00 0.00 C ATOM 1108 CG ARG A 75 4.838 9.891 -6.607 1.00 0.00 C ATOM 1109 CD ARG A 75 3.887 10.924 -7.224 1.00 0.00 C ATOM 1110 NE ARG A 75 2.494 10.441 -7.246 1.00 0.00 N ATOM 1111 CZ ARG A 75 1.995 9.578 -8.108 1.00 0.00 C ATOM 1112 NH1 ARG A 75 2.659 9.144 -9.139 1.00 0.00 N ATOM 1113 NH2 ARG A 75 0.801 9.105 -7.948 1.00 0.00 N ATOM 0 H ARG A 75 4.104 8.976 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 75 5.346 7.993 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.321 10.784 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.044 10.736 -5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.778 9.891 -7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.407 8.895 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.941 11.853 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.209 11.153 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 75 1.863 10.806 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.610 9.472 -9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.229 8.476 -9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.238 9.400 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.423 8.437 -8.620 1.00 0.00 H new ATOM 1127 N GLU A 76 6.374 8.455 -2.183 1.00 0.00 N ATOM 1128 CA GLU A 76 7.538 8.154 -1.336 1.00 0.00 C ATOM 1129 C GLU A 76 7.864 6.649 -1.315 1.00 0.00 C ATOM 1130 O GLU A 76 7.437 5.910 -2.200 1.00 0.00 O ATOM 1131 CB GLU A 76 7.482 8.877 0.020 1.00 0.00 C ATOM 1132 CG GLU A 76 6.312 8.587 0.950 1.00 0.00 C ATOM 1133 CD GLU A 76 6.597 9.228 2.323 1.00 0.00 C ATOM 1134 OE1 GLU A 76 7.239 8.575 3.181 1.00 0.00 O ATOM 1135 OE2 GLU A 76 6.196 10.395 2.546 1.00 0.00 O ATOM 0 H GLU A 76 5.479 8.365 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 76 8.425 8.589 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.400 8.642 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.492 9.949 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.389 8.987 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.173 7.511 1.057 1.00 0.00 H new ATOM 1142 N SER A 77 8.715 6.204 -0.394 1.00 0.00 N ATOM 1143 CA SER A 77 9.528 4.987 -0.506 1.00 0.00 C ATOM 1144 C SER A 77 9.708 4.231 0.817 1.00 0.00 C ATOM 1145 O SER A 77 9.718 4.832 1.894 1.00 0.00 O ATOM 1146 CB SER A 77 10.914 5.375 -1.059 1.00 0.00 C ATOM 1147 OG SER A 77 11.509 6.438 -0.321 1.00 0.00 O ATOM 0 H SER A 77 8.866 6.697 0.486 1.00 0.00 H new ATOM 0 HA SER A 77 8.996 4.310 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.570 4.505 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.817 5.670 -2.104 1.00 0.00 H new ATOM 0 HG SER A 77 12.386 6.651 -0.703 1.00 0.00 H new ATOM 1194 N ARG A 81 13.076 1.746 -1.848 1.00 0.00 N ATOM 1195 CA ARG A 81 12.319 1.540 -3.100 1.00 0.00 C ATOM 1196 C ARG A 81 10.968 2.232 -3.038 1.00 0.00 C ATOM 1197 O ARG A 81 10.416 2.441 -1.964 1.00 0.00 O ATOM 1198 CB ARG A 81 12.106 0.033 -3.281 1.00 0.00 C ATOM 1199 CG ARG A 81 13.049 -0.637 -4.287 1.00 0.00 C ATOM 1200 CD ARG A 81 12.392 -0.668 -5.667 1.00 0.00 C ATOM 1201 NE ARG A 81 13.116 -1.551 -6.595 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.575 -2.366 -7.485 1.00 0.00 C ATOM 1203 NH1 ARG A 81 11.291 -2.430 -7.699 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.340 -3.157 -8.176 1.00 0.00 N ATOM 0 HA ARG A 81 12.879 1.961 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.225 -0.455 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.078 -0.138 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.992 -0.092 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.282 -1.651 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.361 -1.008 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.358 0.341 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 81 14.135 -1.533 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.655 -1.834 -7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.922 -3.076 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.349 -3.146 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.931 -3.789 -8.864 1.00 0.00 H new ATOM 1218 N TYR A 82 10.431 2.594 -4.190 1.00 0.00 N ATOM 1219 CA TYR A 82 9.297 3.526 -4.263 1.00 0.00 C ATOM 1220 C TYR A 82 7.932 2.843 -4.177 1.00 0.00 C ATOM 1221 O TYR A 82 7.746 1.701 -4.595 1.00 0.00 O ATOM 1222 CB TYR A 82 9.418 4.441 -5.490 1.00 0.00 C ATOM 1223 CG TYR A 82 10.419 5.555 -5.251 1.00 0.00 C ATOM 1224 CD1 TYR A 82 9.989 6.738 -4.620 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.780 5.386 -5.575 1.00 0.00 C ATOM 1226 CE1 TYR A 82 10.911 7.753 -4.308 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.708 6.400 -5.263 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.277 7.585 -4.624 1.00 0.00 C ATOM 1229 OH TYR A 82 13.182 8.555 -4.317 1.00 0.00 O ATOM 0 H TYR A 82 10.757 2.260 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 82 9.352 4.150 -3.371 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.724 3.853 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.443 4.869 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.945 6.867 -4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.112 4.481 -6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.575 8.660 -3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.751 6.271 -5.513 1.00 0.00 H new ATOM 0 HH TYR A 82 14.075 8.272 -4.605 1.00 0.00 H new ATOM 1239 N ILE A 83 6.955 3.565 -3.632 1.00 0.00 N ATOM 1240 CA ILE A 83 5.601 3.066 -3.394 1.00 0.00 C ATOM 1241 C ILE A 83 4.583 4.103 -3.895 1.00 0.00 C ATOM 1242 O ILE A 83 4.076 4.930 -3.136 1.00 0.00 O ATOM 1243 CB ILE A 83 5.397 2.725 -1.900 1.00 0.00 C ATOM 1244 CG1 ILE A 83 6.573 2.026 -1.176 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.107 1.904 -1.749 1.00 0.00 C ATOM 1246 CD1 ILE A 83 6.861 0.597 -1.632 1.00 0.00 C ATOM 0 H ILE A 83 7.084 4.533 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 83 5.448 2.141 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 83 5.331 3.689 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.473 2.624 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.364 2.014 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.953 1.658 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.260 2.486 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.191 0.985 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.701 0.196 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.981 -0.023 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.107 0.597 -2.694 1.00 0.00 H new ATOM 1258 N GLU A 84 4.284 4.092 -5.196 1.00 0.00 N ATOM 1259 CA GLU A 84 3.150 4.866 -5.711 1.00 0.00 C ATOM 1260 C GLU A 84 1.838 4.269 -5.169 1.00 0.00 C ATOM 1261 O GLU A 84 1.500 3.134 -5.506 1.00 0.00 O ATOM 1262 CB GLU A 84 3.165 4.904 -7.244 1.00 0.00 C ATOM 1263 CG GLU A 84 1.950 5.654 -7.791 1.00 0.00 C ATOM 1264 CD GLU A 84 2.016 5.927 -9.305 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.758 5.234 -10.041 1.00 0.00 O ATOM 1266 OE2 GLU A 84 1.318 6.860 -9.774 1.00 0.00 O ATOM 0 H GLU A 84 4.800 3.566 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 84 3.230 5.897 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.079 5.387 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.174 3.887 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.051 5.077 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.854 6.603 -7.264 1.00 0.00 H new ATOM 1273 N VAL A 85 1.101 5.014 -4.338 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.173 4.537 -3.733 1.00 0.00 C ATOM 1275 C VAL A 85 -1.350 5.031 -4.581 1.00 0.00 C ATOM 1276 O VAL A 85 -1.649 6.225 -4.602 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.416 4.964 -2.264 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.643 4.191 -1.737 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.790 4.671 -1.359 1.00 0.00 C ATOM 0 H VAL A 85 1.358 5.961 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.091 3.450 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.580 6.041 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.835 4.475 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.514 4.431 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.448 3.120 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.567 4.990 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.999 3.601 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.661 5.214 -1.726 1.00 0.00 H new ATOM 1289 N PHE A 86 -2.051 4.133 -5.263 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.291 4.433 -5.976 1.00 0.00 C ATOM 1291 C PHE A 86 -4.491 4.075 -5.107 1.00 0.00 C ATOM 1292 O PHE A 86 -4.466 3.102 -4.367 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.314 3.539 -7.210 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.438 3.916 -8.386 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.088 3.512 -8.401 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -2.988 4.567 -9.504 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.290 3.754 -9.531 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -2.188 4.815 -10.634 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.842 4.407 -10.648 1.00 0.00 C ATOM 0 H PHE A 86 -1.769 3.156 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.339 5.491 -6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.035 2.533 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.343 3.489 -7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.666 3.015 -7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.023 4.876 -9.495 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.743 3.440 -9.542 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.608 5.319 -11.492 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.231 4.595 -11.518 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.580 4.811 -5.276 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.937 4.486 -4.826 1.00 0.00 C ATOM 1311 C LYS A 87 -7.483 3.427 -5.790 1.00 0.00 C ATOM 1312 O LYS A 87 -7.410 3.598 -7.008 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.727 5.804 -4.863 1.00 0.00 C ATOM 1314 CG LYS A 87 -9.118 5.931 -4.228 1.00 0.00 C ATOM 1315 CD LYS A 87 -10.119 4.769 -4.322 1.00 0.00 C ATOM 1316 CE LYS A 87 -10.091 3.973 -3.011 1.00 0.00 C ATOM 1317 NZ LYS A 87 -11.174 2.965 -2.951 1.00 0.00 N ATOM 0 H LYS A 87 -5.543 5.708 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.995 4.078 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.097 6.562 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.833 6.079 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.972 6.147 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.596 6.806 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.123 5.152 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.865 4.121 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.127 3.475 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.186 4.658 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.606 2.976 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.897 3.189 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.781 2.021 -3.141 1.00 0.00 H new ATOM 1331 N SER A 88 -8.014 2.344 -5.237 1.00 0.00 N ATOM 1332 CA SER A 88 -8.320 1.101 -5.949 1.00 0.00 C ATOM 1333 C SER A 88 -9.566 0.440 -5.363 1.00 0.00 C ATOM 1334 O SER A 88 -10.077 0.888 -4.336 1.00 0.00 O ATOM 1335 CB SER A 88 -7.100 0.184 -5.846 1.00 0.00 C ATOM 1336 OG SER A 88 -6.163 0.537 -6.839 1.00 0.00 O ATOM 0 H SER A 88 -8.253 2.301 -4.246 1.00 0.00 H new ATOM 0 HA SER A 88 -8.533 1.307 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.649 0.271 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.402 -0.856 -5.969 1.00 0.00 H new ATOM 0 HG SER A 88 -6.482 0.230 -7.713 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.079 -0.623 -5.981 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.408 -1.155 -5.645 1.00 0.00 C ATOM 1344 C HIS A 89 -11.396 -2.687 -5.487 1.00 0.00 C ATOM 1345 O HIS A 89 -10.454 -3.345 -5.933 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.399 -0.674 -6.719 1.00 0.00 C ATOM 1347 CG HIS A 89 -12.326 0.818 -6.951 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -11.471 1.468 -7.817 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -12.953 1.781 -6.209 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -11.576 2.790 -7.596 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -12.470 3.032 -6.618 1.00 0.00 N ATOM 0 H HIS A 89 -9.597 -1.137 -6.719 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.724 -0.777 -4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.195 -1.194 -7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.412 -0.942 -6.419 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.864 1.023 -8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.692 1.608 -5.441 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.022 3.550 -8.127 1.00 0.00 H new ATOM 1359 N ARG A 90 -12.416 -3.277 -4.845 1.00 0.00 N ATOM 1360 CA ARG A 90 -12.450 -4.734 -4.582 1.00 0.00 C ATOM 1361 C ARG A 90 -12.576 -5.549 -5.868 1.00 0.00 C ATOM 1362 O ARG A 90 -11.825 -6.502 -6.059 1.00 0.00 O ATOM 1363 CB ARG A 90 -13.588 -5.135 -3.630 1.00 0.00 C ATOM 1364 CG ARG A 90 -13.631 -4.342 -2.319 1.00 0.00 C ATOM 1365 CD ARG A 90 -14.447 -5.128 -1.284 1.00 0.00 C ATOM 1366 NE ARG A 90 -14.771 -4.323 -0.091 1.00 0.00 N ATOM 1367 CZ ARG A 90 -14.330 -4.495 1.141 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.391 -5.334 1.441 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -14.829 -3.813 2.130 1.00 0.00 N ATOM 0 H ARG A 90 -13.231 -2.772 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.496 -4.960 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.539 -5.008 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.492 -6.195 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.620 -4.171 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.079 -3.363 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.371 -5.478 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.887 -6.013 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.411 -3.542 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.958 -5.898 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.084 -5.431 2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.571 -3.135 1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.478 -3.957 3.077 1.00 0.00 H new ATOM 1383 N THR A 91 -13.471 -5.140 -6.767 1.00 0.00 N ATOM 1384 CA THR A 91 -13.596 -5.681 -8.135 1.00 0.00 C ATOM 1385 C THR A 91 -12.278 -5.637 -8.884 1.00 0.00 C ATOM 1386 O THR A 91 -11.849 -6.623 -9.477 1.00 0.00 O ATOM 1387 CB THR A 91 -14.573 -4.856 -8.991 1.00 0.00 C ATOM 1388 OG1 THR A 91 -14.434 -3.464 -8.779 1.00 0.00 O ATOM 1389 CG2 THR A 91 -16.010 -5.232 -8.721 1.00 0.00 C ATOM 0 H THR A 91 -14.150 -4.405 -6.567 1.00 0.00 H new ATOM 0 HA THR A 91 -13.946 -6.704 -7.999 1.00 0.00 H new ATOM 0 HB THR A 91 -14.318 -5.088 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.073 -2.982 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.668 -4.627 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.160 -6.287 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.241 -5.054 -7.671 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.641 -4.470 -8.844 1.00 0.00 N ATOM 1398 CA GLU A 92 -10.416 -4.193 -9.570 1.00 0.00 C ATOM 1399 C GLU A 92 -9.287 -5.102 -9.059 1.00 0.00 C ATOM 1400 O GLU A 92 -8.637 -5.805 -9.827 1.00 0.00 O ATOM 1401 CB GLU A 92 -10.104 -2.700 -9.372 1.00 0.00 C ATOM 1402 CG GLU A 92 -8.782 -2.174 -9.947 1.00 0.00 C ATOM 1403 CD GLU A 92 -8.483 -0.752 -9.415 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -9.432 0.039 -9.184 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -7.295 -0.429 -9.178 1.00 0.00 O ATOM 0 H GLU A 92 -11.973 -3.678 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.519 -4.402 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.917 -2.124 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.112 -2.493 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.969 -2.847 -9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.834 -2.157 -11.036 1.00 0.00 H new ATOM 1412 N MET A 93 -9.111 -5.163 -7.738 1.00 0.00 N ATOM 1413 CA MET A 93 -8.144 -6.029 -7.069 1.00 0.00 C ATOM 1414 C MET A 93 -8.388 -7.528 -7.316 1.00 0.00 C ATOM 1415 O MET A 93 -7.455 -8.307 -7.512 1.00 0.00 O ATOM 1416 CB MET A 93 -8.229 -5.726 -5.576 1.00 0.00 C ATOM 1417 CG MET A 93 -7.119 -6.451 -4.820 1.00 0.00 C ATOM 1418 SD MET A 93 -7.678 -7.875 -3.843 1.00 0.00 S ATOM 1419 CE MET A 93 -8.720 -7.023 -2.627 1.00 0.00 C ATOM 0 H MET A 93 -9.653 -4.595 -7.088 1.00 0.00 H new ATOM 0 HA MET A 93 -7.154 -5.823 -7.476 1.00 0.00 H new ATOM 0 HB2 MET A 93 -8.147 -4.652 -5.412 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.201 -6.034 -5.191 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.370 -6.789 -5.536 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.626 -5.741 -4.155 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.814 -7.639 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.265 -6.068 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.708 -6.849 -3.053 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.652 -7.937 -7.343 1.00 0.00 N ATOM 1430 CA ASP A 94 -10.045 -9.320 -7.628 1.00 0.00 C ATOM 1431 C ASP A 94 -9.699 -9.734 -9.064 1.00 0.00 C ATOM 1432 O ASP A 94 -9.332 -10.881 -9.316 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.551 -9.491 -7.406 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.983 -10.953 -7.597 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.444 -11.850 -6.904 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -12.823 -11.233 -8.483 1.00 0.00 O ATOM 0 H ASP A 94 -10.442 -7.316 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.486 -9.962 -6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.812 -9.161 -6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.098 -8.855 -8.102 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.797 -8.792 -9.999 1.00 0.00 N ATOM 1442 CA TRP A 95 -9.360 -8.925 -11.388 1.00 0.00 C ATOM 1443 C TRP A 95 -7.839 -9.087 -11.458 1.00 0.00 C ATOM 1444 O TRP A 95 -7.346 -10.079 -12.005 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.881 -7.708 -12.185 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.990 -7.019 -13.183 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -8.740 -5.689 -13.195 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -8.291 -7.556 -14.353 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.956 -5.363 -14.283 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -7.680 -6.471 -15.052 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -8.115 -8.843 -14.902 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -6.985 -6.645 -16.257 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -7.446 -9.029 -16.127 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -6.900 -7.931 -16.817 1.00 0.00 C ATOM 0 H TRP A 95 -10.200 -7.876 -9.802 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.776 -9.825 -11.840 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.775 -8.030 -12.718 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -10.195 -6.957 -11.460 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.101 -4.985 -12.460 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.624 -4.421 -14.491 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.501 -9.702 -14.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.521 -5.802 -16.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.351 -10.022 -16.540 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.418 -8.076 -17.772 1.00 0.00 H new ATOM 1465 N VAL A 96 -7.077 -8.154 -10.881 1.00 0.00 N ATOM 1466 CA VAL A 96 -5.640 -8.084 -11.165 1.00 0.00 C ATOM 1467 C VAL A 96 -4.835 -9.231 -10.534 1.00 0.00 C ATOM 1468 O VAL A 96 -3.901 -9.732 -11.155 1.00 0.00 O ATOM 1469 CB VAL A 96 -5.031 -6.731 -10.764 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.680 -5.555 -11.487 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -5.101 -6.467 -9.261 1.00 0.00 C ATOM 0 H VAL A 96 -7.421 -7.450 -10.228 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.565 -8.192 -12.247 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.986 -6.807 -11.064 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.210 -4.626 -11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.551 -5.673 -12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.744 -5.525 -11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.655 -5.497 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.142 -6.469 -8.939 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.555 -7.246 -8.729 1.00 0.00 H new ATOM 1481 N LEU A 97 -5.219 -9.705 -9.340 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.629 -10.874 -8.680 1.00 0.00 C ATOM 1483 C LEU A 97 -5.004 -12.216 -9.346 1.00 0.00 C ATOM 1484 O LEU A 97 -4.362 -13.230 -9.066 1.00 0.00 O ATOM 1485 CB LEU A 97 -5.068 -10.867 -7.205 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.233 -9.978 -6.260 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.002 -8.534 -6.687 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -4.926 -9.980 -4.897 1.00 0.00 C ATOM 0 H LEU A 97 -5.966 -9.275 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.546 -10.796 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.107 -10.541 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.037 -11.891 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.235 -10.417 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.402 -8.023 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.477 -8.517 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.961 -8.027 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.362 -9.359 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.935 -9.582 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.976 -11.000 -4.516 1.00 0.00 H new