USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 422 CYS SG : rot -156:sc= 0.287 USER MOD Set 1.2: A 425 CYS SG : rot -120:sc= 0.312 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -0.116 K(o=-0.77,f=-2.5) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -1.26 K(o=-0.77,f=-2.3) USER MOD Set 2.1: A 392 CYS SG : rot -152:sc= -0.319 USER MOD Set 2.2: A 395 CYS SG : rot 138:sc= 0.435 USER MOD Set 2.3: A 408 HIS : no HE2:sc= -0.182 K(o=-0.29,f=-2.8) USER MOD Set 2.4: A 412 HIS : no HD1:sc= -0.222 K(o=-0.29,f=-9!) USER MOD Set 3.1: A 364 CYS SG : rot 90:sc= 0.172 USER MOD Set 3.2: A 367 CYS SG : rot -46:sc= 0.177 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.156 K(o=0.5,f=-1.5) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 378 ASN : amide:sc= -0.0045 K(o=-0.0045,f=-1.3) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot 69:sc= 1.11 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00502) USER MOD Single : A 405 MET CE :methyl -153:sc= -1.8! (180deg=-2.26) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.351) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0.117 USER MOD Single : A 434 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.015) USER MOD Single : A 436 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.058) USER MOD Single : A 440 LYS NZ :NH3+ 164:sc= -0.0106 (180deg=-0.164) USER MOD Single : A 441 GLN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.352 -21.891 -19.307 1.00 0.00 N ATOM 67 CA VAL A 362 -11.231 -21.249 -18.631 1.00 0.00 C ATOM 68 C VAL A 362 -11.716 -20.327 -17.517 1.00 0.00 C ATOM 69 O VAL A 362 -12.881 -19.934 -17.487 1.00 0.00 O ATOM 70 CB VAL A 362 -10.372 -20.436 -19.617 1.00 0.00 C ATOM 71 CG1 VAL A 362 -9.833 -21.334 -20.721 1.00 0.00 C ATOM 72 CG2 VAL A 362 -11.177 -19.285 -20.200 1.00 0.00 C ATOM 0 HA VAL A 362 -10.623 -22.045 -18.201 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.524 -20.018 -19.075 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.228 -20.742 -21.408 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.219 -22.121 -20.283 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -10.665 -21.783 -21.264 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -10.555 -18.721 -20.895 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -12.045 -19.679 -20.728 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -11.509 -18.629 -19.395 1.00 0.00 H new ATOM 82 N ALA A 363 -10.813 -19.987 -16.603 1.00 0.00 N ATOM 83 CA ALA A 363 -11.148 -19.109 -15.489 1.00 0.00 C ATOM 84 C ALA A 363 -10.158 -17.954 -15.384 1.00 0.00 C ATOM 85 O ALA A 363 -8.964 -18.163 -15.170 1.00 0.00 O ATOM 86 CB ALA A 363 -11.181 -19.898 -14.188 1.00 0.00 C ATOM 0 H ALA A 363 -9.844 -20.306 -16.612 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.137 -18.690 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.432 -19.230 -13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -11.931 -20.685 -14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.203 -20.344 -14.008 1.00 0.00 H new ATOM 92 N CYS A 364 -10.662 -16.734 -15.536 1.00 0.00 N ATOM 93 CA CYS A 364 -9.823 -15.544 -15.460 1.00 0.00 C ATOM 94 C CYS A 364 -9.072 -15.492 -14.132 1.00 0.00 C ATOM 95 O CYS A 364 -9.655 -15.706 -13.070 1.00 0.00 O ATOM 96 CB CYS A 364 -10.673 -14.283 -15.627 1.00 0.00 C ATOM 97 SG CYS A 364 -9.750 -12.841 -16.248 1.00 0.00 S ATOM 0 H CYS A 364 -11.648 -16.543 -15.713 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.094 -15.592 -16.269 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.493 -14.499 -16.312 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.119 -14.029 -14.666 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.790 -12.827 -17.547 1.00 0.00 H new ATOM 102 N GLU A 365 -7.776 -15.205 -14.203 1.00 0.00 N ATOM 103 CA GLU A 365 -6.946 -15.126 -13.006 1.00 0.00 C ATOM 104 C GLU A 365 -6.818 -13.682 -12.528 1.00 0.00 C ATOM 105 O GLU A 365 -5.836 -13.316 -11.883 1.00 0.00 O ATOM 106 CB GLU A 365 -5.558 -15.708 -13.282 1.00 0.00 C ATOM 107 CG GLU A 365 -4.798 -14.978 -14.377 1.00 0.00 C ATOM 108 CD GLU A 365 -4.015 -15.920 -15.271 1.00 0.00 C ATOM 109 OE1 GLU A 365 -4.647 -16.667 -16.046 1.00 0.00 O ATOM 110 OE2 GLU A 365 -2.768 -15.909 -15.194 1.00 0.00 O ATOM 0 H GLU A 365 -7.279 -15.024 -15.075 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.427 -15.710 -12.221 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.972 -15.679 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.662 -16.757 -13.561 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.501 -14.408 -14.984 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.114 -14.261 -13.923 1.00 0.00 H new ATOM 117 N ILE A 366 -7.818 -12.868 -12.849 1.00 0.00 N ATOM 118 CA ILE A 366 -7.818 -11.466 -12.452 1.00 0.00 C ATOM 119 C ILE A 366 -9.119 -11.094 -11.749 1.00 0.00 C ATOM 120 O ILE A 366 -9.119 -10.330 -10.783 1.00 0.00 O ATOM 121 CB ILE A 366 -7.620 -10.537 -13.665 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.322 -10.887 -14.396 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.609 -9.082 -13.222 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.542 -11.621 -15.700 1.00 0.00 C ATOM 0 H ILE A 366 -8.638 -13.156 -13.383 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.984 -11.333 -11.763 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.453 -10.680 -14.353 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.767 -9.970 -14.594 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.701 -11.501 -13.743 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.468 -8.438 -14.090 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.557 -8.841 -12.741 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.794 -8.923 -12.516 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.579 -11.837 -16.163 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.069 -12.555 -15.507 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.136 -11.001 -16.371 1.00 0.00 H new ATOM 136 N CYS A 367 -10.227 -11.639 -12.239 1.00 0.00 N ATOM 137 CA CYS A 367 -11.536 -11.367 -11.657 1.00 0.00 C ATOM 138 C CYS A 367 -12.188 -12.653 -11.158 1.00 0.00 C ATOM 139 O CYS A 367 -12.796 -12.679 -10.089 1.00 0.00 O ATOM 140 CB CYS A 367 -12.442 -10.687 -12.685 1.00 0.00 C ATOM 141 SG CYS A 367 -12.486 -11.521 -14.304 1.00 0.00 S ATOM 0 H CYS A 367 -10.245 -12.272 -13.038 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.397 -10.699 -10.807 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.455 -10.639 -12.285 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -12.106 -9.660 -12.826 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.276 -11.823 -14.670 1.00 0.00 H new ATOM 146 N GLY A 368 -12.057 -13.719 -11.942 1.00 0.00 N ATOM 147 CA GLY A 368 -12.638 -14.994 -11.564 1.00 0.00 C ATOM 148 C GLY A 368 -13.835 -15.362 -12.419 1.00 0.00 C ATOM 149 O GLY A 368 -14.684 -16.152 -12.005 1.00 0.00 O ATOM 0 H GLY A 368 -11.559 -13.722 -12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.881 -15.774 -11.649 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.941 -14.956 -10.518 1.00 0.00 H new ATOM 153 N LYS A 369 -13.904 -14.787 -13.615 1.00 0.00 N ATOM 154 CA LYS A 369 -15.006 -15.058 -14.531 1.00 0.00 C ATOM 155 C LYS A 369 -14.679 -16.239 -15.440 1.00 0.00 C ATOM 156 O LYS A 369 -13.563 -16.353 -15.948 1.00 0.00 O ATOM 157 CB LYS A 369 -15.309 -13.819 -15.376 1.00 0.00 C ATOM 158 CG LYS A 369 -16.403 -12.939 -14.795 1.00 0.00 C ATOM 159 CD LYS A 369 -16.007 -12.382 -13.438 1.00 0.00 C ATOM 160 CE LYS A 369 -16.759 -13.071 -12.310 1.00 0.00 C ATOM 161 NZ LYS A 369 -16.060 -12.922 -11.004 1.00 0.00 N ATOM 0 H LYS A 369 -13.210 -14.131 -13.973 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.885 -15.310 -13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.398 -13.230 -15.481 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.602 -14.135 -16.377 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.613 -12.117 -15.480 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -17.323 -13.516 -14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -14.934 -12.508 -13.291 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -16.209 -11.311 -13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.763 -12.653 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -16.872 -14.130 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -16.605 -13.405 -10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -15.112 -13.344 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -15.975 -11.912 -10.769 1.00 0.00 H new ATOM 175 N ILE A 370 -15.659 -17.114 -15.641 1.00 0.00 N ATOM 176 CA ILE A 370 -15.476 -18.283 -16.491 1.00 0.00 C ATOM 177 C ILE A 370 -15.883 -17.987 -17.930 1.00 0.00 C ATOM 178 O ILE A 370 -16.897 -17.333 -18.178 1.00 0.00 O ATOM 179 CB ILE A 370 -16.289 -19.486 -15.977 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.880 -19.830 -14.543 1.00 0.00 C ATOM 181 CG2 ILE A 370 -16.095 -20.687 -16.891 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.421 -20.205 -14.404 1.00 0.00 C ATOM 0 H ILE A 370 -16.588 -17.035 -15.227 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.415 -18.531 -16.460 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.346 -19.219 -15.980 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.090 -18.976 -13.899 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.495 -20.657 -14.187 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.676 -21.529 -16.514 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.430 -20.436 -17.897 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -15.039 -20.958 -16.917 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.202 -20.436 -13.361 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.209 -21.078 -15.021 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.799 -19.371 -14.729 1.00 0.00 H new ATOM 194 N PHE A 371 -15.088 -18.473 -18.877 1.00 0.00 N ATOM 195 CA PHE A 371 -15.366 -18.261 -20.293 1.00 0.00 C ATOM 196 C PHE A 371 -15.489 -19.592 -21.028 1.00 0.00 C ATOM 197 O PHE A 371 -14.613 -20.452 -20.929 1.00 0.00 O ATOM 198 CB PHE A 371 -14.263 -17.414 -20.930 1.00 0.00 C ATOM 199 CG PHE A 371 -14.157 -16.033 -20.349 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.567 -15.831 -19.112 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.646 -14.936 -21.041 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.469 -14.561 -18.575 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.550 -13.664 -20.509 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.960 -13.476 -19.274 1.00 0.00 C ATOM 0 H PHE A 371 -14.246 -19.017 -18.690 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.315 -17.731 -20.376 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.308 -17.925 -20.809 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.449 -17.336 -22.001 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.179 -16.675 -18.561 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.107 -15.077 -22.007 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -13.008 -14.417 -17.609 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.936 -12.818 -21.058 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.883 -12.483 -18.856 1.00 0.00 H new ATOM 214 N ARG A 372 -16.583 -19.755 -21.766 1.00 0.00 N ATOM 215 CA ARG A 372 -16.822 -20.982 -22.517 1.00 0.00 C ATOM 216 C ARG A 372 -15.687 -21.246 -23.502 1.00 0.00 C ATOM 217 O ARG A 372 -15.388 -22.396 -23.826 1.00 0.00 O ATOM 218 CB ARG A 372 -18.153 -20.895 -23.266 1.00 0.00 C ATOM 219 CG ARG A 372 -18.187 -19.801 -24.321 1.00 0.00 C ATOM 220 CD ARG A 372 -19.605 -19.531 -24.797 1.00 0.00 C ATOM 221 NE ARG A 372 -19.885 -20.174 -26.078 1.00 0.00 N ATOM 222 CZ ARG A 372 -21.016 -20.004 -26.755 1.00 0.00 C ATOM 223 NH1 ARG A 372 -21.967 -19.214 -26.275 1.00 0.00 N ATOM 224 NH2 ARG A 372 -21.197 -20.624 -27.914 1.00 0.00 N ATOM 0 H ARG A 372 -17.317 -19.053 -21.860 1.00 0.00 H new ATOM 0 HA ARG A 372 -16.865 -21.810 -21.809 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.356 -21.854 -23.743 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -18.954 -20.720 -22.548 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -17.759 -18.886 -23.912 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.567 -20.092 -25.169 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -20.313 -19.889 -24.049 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -19.757 -18.456 -24.890 1.00 0.00 H new ATOM 0 HE ARG A 372 -19.173 -20.787 -26.475 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -21.831 -18.735 -25.385 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -22.834 -19.085 -26.796 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -20.468 -21.232 -28.286 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -22.066 -20.493 -28.432 1.00 0.00 H new ATOM 238 N ASP A 373 -15.060 -20.175 -23.975 1.00 0.00 N ATOM 239 CA ASP A 373 -13.958 -20.291 -24.923 1.00 0.00 C ATOM 240 C ASP A 373 -12.806 -19.370 -24.533 1.00 0.00 C ATOM 241 O ASP A 373 -12.937 -18.545 -23.629 1.00 0.00 O ATOM 242 CB ASP A 373 -14.437 -19.959 -26.337 1.00 0.00 C ATOM 243 CG ASP A 373 -15.434 -20.972 -26.863 1.00 0.00 C ATOM 244 OD1 ASP A 373 -15.160 -22.185 -26.756 1.00 0.00 O ATOM 245 OD2 ASP A 373 -16.489 -20.551 -27.383 1.00 0.00 O ATOM 0 H ASP A 373 -15.296 -19.217 -23.718 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.599 -21.320 -24.901 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -14.893 -18.969 -26.340 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.579 -19.916 -27.008 1.00 0.00 H new ATOM 250 N VAL A 374 -11.678 -19.517 -25.220 1.00 0.00 N ATOM 251 CA VAL A 374 -10.503 -18.699 -24.946 1.00 0.00 C ATOM 252 C VAL A 374 -10.565 -17.377 -25.704 1.00 0.00 C ATOM 253 O VAL A 374 -10.146 -16.338 -25.194 1.00 0.00 O ATOM 254 CB VAL A 374 -9.205 -19.435 -25.326 1.00 0.00 C ATOM 255 CG1 VAL A 374 -7.988 -18.628 -24.900 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.179 -20.823 -24.704 1.00 0.00 C ATOM 0 H VAL A 374 -11.553 -20.196 -25.971 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.499 -18.501 -23.874 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.175 -19.546 -26.410 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.081 -19.164 -25.177 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -8.002 -17.658 -25.397 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.008 -18.482 -23.820 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.255 -21.329 -24.983 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.232 -20.736 -23.619 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.031 -21.399 -25.064 1.00 0.00 H new ATOM 266 N TYR A 375 -11.090 -17.425 -26.923 1.00 0.00 N ATOM 267 CA TYR A 375 -11.206 -16.231 -27.752 1.00 0.00 C ATOM 268 C TYR A 375 -11.909 -15.108 -26.996 1.00 0.00 C ATOM 269 O TYR A 375 -11.501 -13.948 -27.064 1.00 0.00 O ATOM 270 CB TYR A 375 -11.969 -16.551 -29.039 1.00 0.00 C ATOM 271 CG TYR A 375 -11.181 -17.393 -30.017 1.00 0.00 C ATOM 272 CD1 TYR A 375 -11.051 -18.765 -29.835 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.569 -16.818 -31.123 1.00 0.00 C ATOM 274 CE1 TYR A 375 -10.332 -19.538 -30.725 1.00 0.00 C ATOM 275 CE2 TYR A 375 -9.849 -17.584 -32.020 1.00 0.00 C ATOM 276 CZ TYR A 375 -9.733 -18.943 -31.816 1.00 0.00 C ATOM 277 OH TYR A 375 -9.017 -19.711 -32.706 1.00 0.00 O ATOM 0 H TYR A 375 -11.442 -18.277 -27.359 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.200 -15.897 -28.007 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.891 -17.073 -28.784 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -12.254 -15.617 -29.524 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -11.520 -19.234 -28.983 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -10.657 -15.754 -31.285 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -10.239 -20.602 -30.568 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -9.380 -17.121 -32.876 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.661 -19.140 -33.418 1.00 0.00 H new ATOM 287 N HIS A 376 -12.968 -15.461 -26.275 1.00 0.00 N ATOM 288 CA HIS A 376 -13.729 -14.484 -25.504 1.00 0.00 C ATOM 289 C HIS A 376 -12.930 -14.005 -24.296 1.00 0.00 C ATOM 290 O HIS A 376 -13.136 -12.895 -23.803 1.00 0.00 O ATOM 291 CB HIS A 376 -15.057 -15.087 -25.045 1.00 0.00 C ATOM 292 CG HIS A 376 -16.244 -14.559 -25.790 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.876 -13.379 -25.459 1.00 0.00 N ATOM 294 CD2 HIS A 376 -16.913 -15.056 -26.857 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.884 -13.174 -26.288 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.927 -14.177 -27.147 1.00 0.00 N ATOM 0 H HIS A 376 -13.319 -16.416 -26.208 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.931 -13.628 -26.147 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.016 -16.170 -25.165 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -15.188 -14.889 -23.981 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -16.690 -15.973 -27.382 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -18.558 -12.330 -26.267 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.604 -14.281 -27.903 1.00 0.00 H new ATOM 304 N LEU A 377 -12.018 -14.847 -23.824 1.00 0.00 N ATOM 305 CA LEU A 377 -11.188 -14.509 -22.673 1.00 0.00 C ATOM 306 C LEU A 377 -10.065 -13.557 -23.071 1.00 0.00 C ATOM 307 O LEU A 377 -9.567 -12.790 -22.248 1.00 0.00 O ATOM 308 CB LEU A 377 -10.600 -15.779 -22.053 1.00 0.00 C ATOM 309 CG LEU A 377 -9.580 -15.569 -20.934 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.257 -15.008 -19.693 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.866 -16.873 -20.611 1.00 0.00 C ATOM 0 H LEU A 377 -11.834 -15.769 -24.220 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.818 -14.010 -21.937 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.420 -16.381 -21.662 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.127 -16.360 -22.844 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.838 -14.847 -21.276 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.515 -14.865 -18.907 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.721 -14.051 -19.933 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.021 -15.705 -19.349 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.144 -16.704 -19.812 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.595 -17.617 -20.290 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.347 -17.233 -21.499 1.00 0.00 H new ATOM 323 N ASN A 378 -9.673 -13.611 -24.340 1.00 0.00 N ATOM 324 CA ASN A 378 -8.610 -12.752 -24.849 1.00 0.00 C ATOM 325 C ASN A 378 -9.051 -11.291 -24.861 1.00 0.00 C ATOM 326 O ASN A 378 -8.375 -10.423 -24.308 1.00 0.00 O ATOM 327 CB ASN A 378 -8.205 -13.186 -26.259 1.00 0.00 C ATOM 328 CG ASN A 378 -6.928 -12.515 -26.726 1.00 0.00 C ATOM 329 OD1 ASN A 378 -6.142 -12.020 -25.918 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.716 -12.495 -28.037 1.00 0.00 N ATOM 0 H ASN A 378 -10.075 -14.240 -25.034 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.750 -12.849 -24.186 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.072 -14.268 -26.279 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -9.011 -12.951 -26.954 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.874 -12.057 -28.411 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -7.395 -12.918 -28.670 1.00 0.00 H new ATOM 337 N ARG A 379 -10.188 -11.027 -25.497 1.00 0.00 N ATOM 338 CA ARG A 379 -10.718 -9.672 -25.582 1.00 0.00 C ATOM 339 C ARG A 379 -11.011 -9.114 -24.192 1.00 0.00 C ATOM 340 O ARG A 379 -11.000 -7.900 -23.984 1.00 0.00 O ATOM 341 CB ARG A 379 -11.992 -9.652 -26.430 1.00 0.00 C ATOM 342 CG ARG A 379 -13.172 -10.350 -25.773 1.00 0.00 C ATOM 343 CD ARG A 379 -14.220 -9.352 -25.307 1.00 0.00 C ATOM 344 NE ARG A 379 -14.909 -9.805 -24.102 1.00 0.00 N ATOM 345 CZ ARG A 379 -16.058 -9.291 -23.675 1.00 0.00 C ATOM 346 NH1 ARG A 379 -16.642 -8.312 -24.352 1.00 0.00 N ATOM 347 NH2 ARG A 379 -16.624 -9.756 -22.569 1.00 0.00 N ATOM 0 H ARG A 379 -10.759 -11.733 -25.961 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.964 -9.043 -26.056 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.263 -8.617 -26.639 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -11.787 -10.128 -27.389 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -13.622 -11.049 -26.478 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.822 -10.936 -24.923 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.744 -8.391 -25.113 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -14.948 -9.193 -26.103 1.00 0.00 H new ATOM 0 HE ARG A 379 -14.485 -10.557 -23.558 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -16.210 -7.952 -25.203 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -17.524 -7.919 -24.022 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -16.177 -10.509 -22.045 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -17.506 -9.361 -22.242 1.00 0.00 H new ATOM 361 N HIS A 380 -11.274 -10.008 -23.245 1.00 0.00 N ATOM 362 CA HIS A 380 -11.570 -9.605 -21.874 1.00 0.00 C ATOM 363 C HIS A 380 -10.310 -9.115 -21.168 1.00 0.00 C ATOM 364 O HIS A 380 -10.274 -8.004 -20.639 1.00 0.00 O ATOM 365 CB HIS A 380 -12.182 -10.772 -21.098 1.00 0.00 C ATOM 366 CG HIS A 380 -12.350 -10.496 -19.636 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.433 -9.820 -19.117 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.564 -10.812 -18.580 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.306 -9.729 -17.805 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.180 -10.324 -17.454 1.00 0.00 N ATOM 0 H HIS A 380 -11.288 -11.016 -23.401 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.288 -8.785 -21.909 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.154 -11.013 -21.528 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.551 -11.652 -21.223 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.627 -11.348 -18.616 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -14.004 -9.250 -17.134 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -11.826 -10.407 -16.501 1.00 0.00 H new ATOM 378 N LYS A 381 -9.277 -9.951 -21.163 1.00 0.00 N ATOM 379 CA LYS A 381 -8.014 -9.603 -20.522 1.00 0.00 C ATOM 380 C LYS A 381 -7.493 -8.266 -21.038 1.00 0.00 C ATOM 381 O LYS A 381 -6.887 -7.495 -20.292 1.00 0.00 O ATOM 382 CB LYS A 381 -6.974 -10.698 -20.771 1.00 0.00 C ATOM 383 CG LYS A 381 -7.350 -12.042 -20.172 1.00 0.00 C ATOM 384 CD LYS A 381 -6.588 -13.179 -20.830 1.00 0.00 C ATOM 385 CE LYS A 381 -6.259 -14.280 -19.834 1.00 0.00 C ATOM 386 NZ LYS A 381 -4.971 -14.025 -19.131 1.00 0.00 N ATOM 0 H LYS A 381 -9.290 -10.875 -21.596 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.191 -9.515 -19.450 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.833 -10.815 -21.845 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -6.017 -10.380 -20.356 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -7.142 -12.035 -19.102 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.421 -12.206 -20.288 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.181 -13.591 -21.647 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.666 -12.795 -21.267 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -7.063 -14.360 -19.102 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.206 -15.236 -20.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.782 -14.798 -18.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.200 -13.974 -19.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -5.030 -13.125 -18.614 1.00 0.00 H new ATOM 400 N LEU A 382 -7.732 -7.995 -22.316 1.00 0.00 N ATOM 401 CA LEU A 382 -7.288 -6.749 -22.931 1.00 0.00 C ATOM 402 C LEU A 382 -7.864 -5.544 -22.196 1.00 0.00 C ATOM 403 O LEU A 382 -7.263 -4.469 -22.179 1.00 0.00 O ATOM 404 CB LEU A 382 -7.702 -6.708 -24.403 1.00 0.00 C ATOM 405 CG LEU A 382 -6.930 -7.634 -25.344 1.00 0.00 C ATOM 406 CD1 LEU A 382 -7.708 -7.858 -26.631 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.553 -7.061 -25.645 1.00 0.00 C ATOM 0 H LEU A 382 -8.231 -8.622 -22.947 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.201 -6.707 -22.864 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.761 -6.957 -24.469 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.592 -5.685 -24.762 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.801 -8.597 -24.849 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -7.143 -8.519 -27.288 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -8.671 -8.313 -26.399 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.869 -6.902 -27.130 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -5.018 -7.733 -26.316 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -5.661 -6.085 -26.119 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.993 -6.954 -24.716 1.00 0.00 H new ATOM 480 N LYS A 388 -0.661 2.651 -23.656 1.00 0.00 N ATOM 481 CA LYS A 388 -0.386 4.029 -24.044 1.00 0.00 C ATOM 482 C LYS A 388 -0.358 4.943 -22.823 1.00 0.00 C ATOM 483 O LYS A 388 -0.961 4.655 -21.789 1.00 0.00 O ATOM 484 CB LYS A 388 -1.439 4.521 -25.039 1.00 0.00 C ATOM 485 CG LYS A 388 -1.940 3.438 -25.979 1.00 0.00 C ATOM 486 CD LYS A 388 -2.234 3.993 -27.363 1.00 0.00 C ATOM 487 CE LYS A 388 -2.802 2.924 -28.283 1.00 0.00 C ATOM 488 NZ LYS A 388 -3.632 3.512 -29.371 1.00 0.00 N ATOM 0 HA LYS A 388 0.594 4.057 -24.519 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -2.285 4.931 -24.487 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -1.018 5.335 -25.628 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -1.194 2.647 -26.054 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -2.843 2.987 -25.568 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -2.941 4.818 -27.282 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -1.319 4.398 -27.796 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -1.985 2.349 -28.720 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -3.406 2.228 -27.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -4.001 2.751 -29.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -4.426 4.039 -28.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -3.049 4.157 -29.942 1.00 0.00 H new ATOM 502 N PRO A 389 0.356 6.072 -22.944 1.00 0.00 N ATOM 503 CA PRO A 389 1.078 6.425 -24.169 1.00 0.00 C ATOM 504 C PRO A 389 2.282 5.522 -24.413 1.00 0.00 C ATOM 505 O PRO A 389 2.541 5.107 -25.544 1.00 0.00 O ATOM 506 CB PRO A 389 1.532 7.864 -23.912 1.00 0.00 C ATOM 507 CG PRO A 389 1.602 7.979 -22.428 1.00 0.00 C ATOM 508 CD PRO A 389 0.513 7.091 -21.892 1.00 0.00 C ATOM 0 HA PRO A 389 0.454 6.313 -25.056 1.00 0.00 H new ATOM 0 HB2 PRO A 389 2.501 8.061 -24.371 1.00 0.00 H new ATOM 0 HB3 PRO A 389 0.828 8.582 -24.332 1.00 0.00 H new ATOM 0 HG2 PRO A 389 2.578 7.666 -22.058 1.00 0.00 H new ATOM 0 HG3 PRO A 389 1.456 9.011 -22.109 1.00 0.00 H new ATOM 0 HD2 PRO A 389 0.792 6.644 -20.938 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -0.412 7.644 -21.727 1.00 0.00 H new ATOM 516 N TYR A 390 3.014 5.219 -23.347 1.00 0.00 N ATOM 517 CA TYR A 390 4.192 4.366 -23.446 1.00 0.00 C ATOM 518 C TYR A 390 4.089 3.182 -22.490 1.00 0.00 C ATOM 519 O TYR A 390 4.379 3.304 -21.300 1.00 0.00 O ATOM 520 CB TYR A 390 5.458 5.171 -23.145 1.00 0.00 C ATOM 521 CG TYR A 390 5.505 6.510 -23.846 1.00 0.00 C ATOM 522 CD1 TYR A 390 5.964 6.616 -25.152 1.00 0.00 C ATOM 523 CD2 TYR A 390 5.090 7.669 -23.201 1.00 0.00 C ATOM 524 CE1 TYR A 390 6.010 7.838 -25.796 1.00 0.00 C ATOM 525 CE2 TYR A 390 5.130 8.894 -23.837 1.00 0.00 C ATOM 526 CZ TYR A 390 5.592 8.973 -25.135 1.00 0.00 C ATOM 527 OH TYR A 390 5.635 10.192 -25.773 1.00 0.00 O ATOM 0 H TYR A 390 2.812 5.552 -22.404 1.00 0.00 H new ATOM 0 HA TYR A 390 4.247 3.983 -24.465 1.00 0.00 H new ATOM 0 HB2 TYR A 390 5.530 5.331 -22.069 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.329 4.586 -23.439 1.00 0.00 H new ATOM 0 HD1 TYR A 390 6.291 5.728 -25.674 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.730 7.611 -22.184 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.371 7.903 -26.812 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.802 9.785 -23.322 1.00 0.00 H new ATOM 0 HH TYR A 390 5.305 10.889 -25.169 1.00 0.00 H new ATOM 537 N SER A 391 3.675 2.036 -23.020 1.00 0.00 N ATOM 538 CA SER A 391 3.530 0.829 -22.215 1.00 0.00 C ATOM 539 C SER A 391 4.558 -0.223 -22.622 1.00 0.00 C ATOM 540 O SER A 391 5.062 -0.213 -23.745 1.00 0.00 O ATOM 541 CB SER A 391 2.117 0.260 -22.359 1.00 0.00 C ATOM 542 OG SER A 391 2.089 -1.122 -22.049 1.00 0.00 O ATOM 0 H SER A 391 3.434 1.918 -24.004 1.00 0.00 H new ATOM 0 HA SER A 391 3.702 1.096 -21.172 1.00 0.00 H new ATOM 0 HB2 SER A 391 1.436 0.798 -21.699 1.00 0.00 H new ATOM 0 HB3 SER A 391 1.762 0.414 -23.378 1.00 0.00 H new ATOM 0 HG SER A 391 2.255 -1.246 -21.091 1.00 0.00 H new ATOM 548 N CYS A 392 4.863 -1.131 -21.701 1.00 0.00 N ATOM 549 CA CYS A 392 5.830 -2.190 -21.961 1.00 0.00 C ATOM 550 C CYS A 392 5.178 -3.350 -22.708 1.00 0.00 C ATOM 551 O CYS A 392 4.132 -3.866 -22.313 1.00 0.00 O ATOM 552 CB CYS A 392 6.435 -2.690 -20.649 1.00 0.00 C ATOM 553 SG CYS A 392 7.917 -3.729 -20.861 1.00 0.00 S ATOM 0 H CYS A 392 4.454 -1.154 -20.767 1.00 0.00 H new ATOM 0 HA CYS A 392 6.623 -1.779 -22.585 1.00 0.00 H new ATOM 0 HB2 CYS A 392 6.692 -1.831 -20.029 1.00 0.00 H new ATOM 0 HB3 CYS A 392 5.680 -3.259 -20.107 1.00 0.00 H new ATOM 0 HG CYS A 392 8.015 -4.555 -19.862 1.00 0.00 H new ATOM 558 N PRO A 393 5.809 -3.771 -23.815 1.00 0.00 N ATOM 559 CA PRO A 393 5.310 -4.874 -24.640 1.00 0.00 C ATOM 560 C PRO A 393 5.431 -6.223 -23.939 1.00 0.00 C ATOM 561 O PRO A 393 4.785 -7.196 -24.329 1.00 0.00 O ATOM 562 CB PRO A 393 6.212 -4.830 -25.876 1.00 0.00 C ATOM 563 CG PRO A 393 7.471 -4.188 -25.402 1.00 0.00 C ATOM 564 CD PRO A 393 7.060 -3.202 -24.345 1.00 0.00 C ATOM 0 HA PRO A 393 4.249 -4.766 -24.866 1.00 0.00 H new ATOM 0 HB2 PRO A 393 6.400 -5.831 -26.265 1.00 0.00 H new ATOM 0 HB3 PRO A 393 5.753 -4.256 -26.681 1.00 0.00 H new ATOM 0 HG2 PRO A 393 8.159 -4.930 -24.997 1.00 0.00 H new ATOM 0 HG3 PRO A 393 7.987 -3.689 -26.222 1.00 0.00 H new ATOM 0 HD2 PRO A 393 7.819 -3.106 -23.568 1.00 0.00 H new ATOM 0 HD3 PRO A 393 6.904 -2.207 -24.762 1.00 0.00 H new ATOM 572 N VAL A 394 6.262 -6.274 -22.904 1.00 0.00 N ATOM 573 CA VAL A 394 6.467 -7.504 -22.148 1.00 0.00 C ATOM 574 C VAL A 394 5.561 -7.553 -20.923 1.00 0.00 C ATOM 575 O VAL A 394 4.676 -8.404 -20.825 1.00 0.00 O ATOM 576 CB VAL A 394 7.932 -7.647 -21.694 1.00 0.00 C ATOM 577 CG1 VAL A 394 8.131 -8.949 -20.934 1.00 0.00 C ATOM 578 CG2 VAL A 394 8.869 -7.569 -22.890 1.00 0.00 C ATOM 0 H VAL A 394 6.805 -5.478 -22.569 1.00 0.00 H new ATOM 0 HA VAL A 394 6.219 -8.330 -22.815 1.00 0.00 H new ATOM 0 HB VAL A 394 8.169 -6.823 -21.021 1.00 0.00 H new ATOM 0 HG11 VAL A 394 9.172 -9.032 -20.621 1.00 0.00 H new ATOM 0 HG12 VAL A 394 7.486 -8.960 -20.055 1.00 0.00 H new ATOM 0 HG13 VAL A 394 7.878 -9.790 -21.580 1.00 0.00 H new ATOM 0 HG21 VAL A 394 9.900 -7.672 -22.552 1.00 0.00 H new ATOM 0 HG22 VAL A 394 8.635 -8.372 -23.589 1.00 0.00 H new ATOM 0 HG23 VAL A 394 8.745 -6.607 -23.388 1.00 0.00 H new ATOM 588 N CYS A 395 5.786 -6.635 -19.989 1.00 0.00 N ATOM 589 CA CYS A 395 4.990 -6.572 -18.770 1.00 0.00 C ATOM 590 C CYS A 395 3.553 -6.162 -19.078 1.00 0.00 C ATOM 591 O CYS A 395 2.627 -6.963 -18.956 1.00 0.00 O ATOM 592 CB CYS A 395 5.612 -5.585 -17.780 1.00 0.00 C ATOM 593 SG CYS A 395 7.402 -5.811 -17.531 1.00 0.00 S ATOM 0 H CYS A 395 6.514 -5.924 -20.054 1.00 0.00 H new ATOM 0 HA CYS A 395 4.978 -7.566 -18.323 1.00 0.00 H new ATOM 0 HB2 CYS A 395 5.430 -4.570 -18.133 1.00 0.00 H new ATOM 0 HB3 CYS A 395 5.107 -5.684 -16.819 1.00 0.00 H new ATOM 0 HG CYS A 395 7.986 -4.650 -17.505 1.00 0.00 H new ATOM 598 N GLY A 396 3.374 -4.907 -19.480 1.00 0.00 N ATOM 599 CA GLY A 396 2.048 -4.412 -19.801 1.00 0.00 C ATOM 600 C GLY A 396 1.742 -3.093 -19.120 1.00 0.00 C ATOM 601 O GLY A 396 0.763 -2.425 -19.456 1.00 0.00 O ATOM 0 H GLY A 396 4.124 -4.224 -19.589 1.00 0.00 H new ATOM 0 HA2 GLY A 396 1.961 -4.289 -20.881 1.00 0.00 H new ATOM 0 HA3 GLY A 396 1.305 -5.152 -19.503 1.00 0.00 H new ATOM 605 N LEU A 397 2.579 -2.716 -18.160 1.00 0.00 N ATOM 606 CA LEU A 397 2.392 -1.468 -17.428 1.00 0.00 C ATOM 607 C LEU A 397 2.290 -0.285 -18.386 1.00 0.00 C ATOM 608 O LEU A 397 2.576 -0.411 -19.576 1.00 0.00 O ATOM 609 CB LEU A 397 3.548 -1.249 -16.450 1.00 0.00 C ATOM 610 CG LEU A 397 3.316 -1.732 -15.018 1.00 0.00 C ATOM 611 CD1 LEU A 397 4.225 -2.909 -14.699 1.00 0.00 C ATOM 612 CD2 LEU A 397 3.543 -0.598 -14.029 1.00 0.00 C ATOM 0 H LEU A 397 3.394 -3.257 -17.870 1.00 0.00 H new ATOM 0 HA LEU A 397 1.460 -1.540 -16.868 1.00 0.00 H new ATOM 0 HB2 LEU A 397 4.431 -1.753 -16.844 1.00 0.00 H new ATOM 0 HB3 LEU A 397 3.776 -0.183 -16.420 1.00 0.00 H new ATOM 0 HG LEU A 397 2.281 -2.063 -14.929 1.00 0.00 H new ATOM 0 HD11 LEU A 397 4.046 -3.240 -13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 397 4.015 -3.728 -15.387 1.00 0.00 H new ATOM 0 HD13 LEU A 397 5.266 -2.604 -14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 397 3.373 -0.960 -13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 397 4.567 -0.237 -14.119 1.00 0.00 H new ATOM 0 HD23 LEU A 397 2.851 0.216 -14.244 1.00 0.00 H new ATOM 624 N ARG A 398 1.882 0.864 -17.857 1.00 0.00 N ATOM 625 CA ARG A 398 1.744 2.070 -18.665 1.00 0.00 C ATOM 626 C ARG A 398 2.515 3.231 -18.045 1.00 0.00 C ATOM 627 O ARG A 398 2.445 3.462 -16.837 1.00 0.00 O ATOM 628 CB ARG A 398 0.268 2.445 -18.811 1.00 0.00 C ATOM 629 CG ARG A 398 -0.511 1.508 -19.720 1.00 0.00 C ATOM 630 CD ARG A 398 -1.768 0.989 -19.040 1.00 0.00 C ATOM 631 NE ARG A 398 -2.839 1.982 -19.037 1.00 0.00 N ATOM 632 CZ ARG A 398 -3.925 1.889 -18.278 1.00 0.00 C ATOM 633 NH1 ARG A 398 -4.083 0.854 -17.465 1.00 0.00 N ATOM 634 NH2 ARG A 398 -4.856 2.833 -18.331 1.00 0.00 N ATOM 0 H ARG A 398 1.641 0.985 -16.873 1.00 0.00 H new ATOM 0 HA ARG A 398 2.160 1.866 -19.652 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -0.196 2.450 -17.825 1.00 0.00 H new ATOM 0 HB3 ARG A 398 0.197 3.460 -19.202 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -0.782 2.031 -20.637 1.00 0.00 H new ATOM 0 HG3 ARG A 398 0.122 0.668 -20.007 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -2.110 0.088 -19.550 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -1.534 0.705 -18.014 1.00 0.00 H new ATOM 0 HE ARG A 398 -2.748 2.791 -19.651 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -3.370 0.126 -17.421 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -4.918 0.785 -16.883 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -4.738 3.631 -18.955 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -5.690 2.761 -17.748 1.00 0.00 H new ATOM 648 N PHE A 399 3.251 3.959 -18.879 1.00 0.00 N ATOM 649 CA PHE A 399 4.037 5.095 -18.413 1.00 0.00 C ATOM 650 C PHE A 399 3.646 6.369 -19.158 1.00 0.00 C ATOM 651 O PHE A 399 3.330 6.334 -20.347 1.00 0.00 O ATOM 652 CB PHE A 399 5.530 4.820 -18.598 1.00 0.00 C ATOM 653 CG PHE A 399 6.017 3.619 -17.839 1.00 0.00 C ATOM 654 CD1 PHE A 399 5.912 2.349 -18.384 1.00 0.00 C ATOM 655 CD2 PHE A 399 6.580 3.759 -16.581 1.00 0.00 C ATOM 656 CE1 PHE A 399 6.359 1.242 -17.687 1.00 0.00 C ATOM 657 CE2 PHE A 399 7.028 2.656 -15.879 1.00 0.00 C ATOM 658 CZ PHE A 399 6.919 1.396 -16.434 1.00 0.00 C ATOM 0 H PHE A 399 3.319 3.782 -19.881 1.00 0.00 H new ATOM 0 HA PHE A 399 3.830 5.237 -17.352 1.00 0.00 H new ATOM 0 HB2 PHE A 399 5.736 4.678 -19.659 1.00 0.00 H new ATOM 0 HB3 PHE A 399 6.095 5.696 -18.278 1.00 0.00 H new ATOM 0 HD1 PHE A 399 5.476 2.223 -19.364 1.00 0.00 H new ATOM 0 HD2 PHE A 399 6.670 4.742 -16.143 1.00 0.00 H new ATOM 0 HE1 PHE A 399 6.270 0.257 -18.122 1.00 0.00 H new ATOM 0 HE2 PHE A 399 7.463 2.779 -14.898 1.00 0.00 H new ATOM 0 HZ PHE A 399 7.271 0.533 -15.889 1.00 0.00 H new ATOM 668 N LYS A 400 3.671 7.492 -18.449 1.00 0.00 N ATOM 669 CA LYS A 400 3.321 8.778 -19.041 1.00 0.00 C ATOM 670 C LYS A 400 4.574 9.573 -19.395 1.00 0.00 C ATOM 671 O LYS A 400 4.534 10.799 -19.496 1.00 0.00 O ATOM 672 CB LYS A 400 2.448 9.585 -18.077 1.00 0.00 C ATOM 673 CG LYS A 400 1.213 10.183 -18.730 1.00 0.00 C ATOM 674 CD LYS A 400 1.370 11.677 -18.957 1.00 0.00 C ATOM 675 CE LYS A 400 0.560 12.481 -17.952 1.00 0.00 C ATOM 676 NZ LYS A 400 -0.895 12.464 -18.271 1.00 0.00 N ATOM 0 H LYS A 400 3.930 7.538 -17.463 1.00 0.00 H new ATOM 0 HA LYS A 400 2.761 8.588 -19.957 1.00 0.00 H new ATOM 0 HB2 LYS A 400 2.138 8.940 -17.255 1.00 0.00 H new ATOM 0 HB3 LYS A 400 3.045 10.388 -17.645 1.00 0.00 H new ATOM 0 HG2 LYS A 400 1.028 9.687 -19.683 1.00 0.00 H new ATOM 0 HG3 LYS A 400 0.342 9.999 -18.100 1.00 0.00 H new ATOM 0 HD2 LYS A 400 2.423 11.949 -18.879 1.00 0.00 H new ATOM 0 HD3 LYS A 400 1.050 11.928 -19.968 1.00 0.00 H new ATOM 0 HE2 LYS A 400 0.717 12.076 -16.952 1.00 0.00 H new ATOM 0 HE3 LYS A 400 0.917 13.511 -17.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -1.412 13.023 -17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -1.048 12.873 -19.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -1.242 11.484 -18.259 1.00 0.00 H new ATOM 690 N ARG A 401 5.683 8.866 -19.585 1.00 0.00 N ATOM 691 CA ARG A 401 6.947 9.506 -19.929 1.00 0.00 C ATOM 692 C ARG A 401 7.838 8.557 -20.725 1.00 0.00 C ATOM 693 O ARG A 401 7.701 7.337 -20.634 1.00 0.00 O ATOM 694 CB ARG A 401 7.674 9.962 -18.662 1.00 0.00 C ATOM 695 CG ARG A 401 7.664 8.928 -17.548 1.00 0.00 C ATOM 696 CD ARG A 401 6.726 9.332 -16.421 1.00 0.00 C ATOM 697 NE ARG A 401 7.454 9.703 -15.210 1.00 0.00 N ATOM 698 CZ ARG A 401 6.867 10.177 -14.117 1.00 0.00 C ATOM 699 NH1 ARG A 401 5.551 10.337 -14.083 1.00 0.00 N ATOM 700 NH2 ARG A 401 7.597 10.492 -13.055 1.00 0.00 N ATOM 0 H ARG A 401 5.732 7.850 -19.507 1.00 0.00 H new ATOM 0 HA ARG A 401 6.728 10.376 -20.548 1.00 0.00 H new ATOM 0 HB2 ARG A 401 8.707 10.203 -18.913 1.00 0.00 H new ATOM 0 HB3 ARG A 401 7.212 10.880 -18.298 1.00 0.00 H new ATOM 0 HG2 ARG A 401 7.357 7.962 -17.949 1.00 0.00 H new ATOM 0 HG3 ARG A 401 8.673 8.804 -17.156 1.00 0.00 H new ATOM 0 HD2 ARG A 401 6.110 10.171 -16.745 1.00 0.00 H new ATOM 0 HD3 ARG A 401 6.049 8.507 -16.199 1.00 0.00 H new ATOM 0 HE ARG A 401 8.468 9.592 -15.204 1.00 0.00 H new ATOM 0 HH11 ARG A 401 4.987 10.096 -14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 401 5.103 10.701 -13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 401 8.609 10.370 -13.078 1.00 0.00 H new ATOM 0 HH22 ARG A 401 7.146 10.856 -12.216 1.00 0.00 H new ATOM 714 N LYS A 402 8.751 9.126 -21.505 1.00 0.00 N ATOM 715 CA LYS A 402 9.665 8.332 -22.318 1.00 0.00 C ATOM 716 C LYS A 402 10.933 7.996 -21.539 1.00 0.00 C ATOM 717 O LYS A 402 11.644 7.048 -21.871 1.00 0.00 O ATOM 718 CB LYS A 402 10.026 9.086 -23.600 1.00 0.00 C ATOM 719 CG LYS A 402 10.353 8.174 -24.770 1.00 0.00 C ATOM 720 CD LYS A 402 9.516 8.514 -25.992 1.00 0.00 C ATOM 721 CE LYS A 402 9.335 7.305 -26.897 1.00 0.00 C ATOM 722 NZ LYS A 402 10.631 6.837 -27.463 1.00 0.00 N ATOM 0 H LYS A 402 8.878 10.134 -21.591 1.00 0.00 H new ATOM 0 HA LYS A 402 9.163 7.401 -22.581 1.00 0.00 H new ATOM 0 HB2 LYS A 402 9.195 9.734 -23.877 1.00 0.00 H new ATOM 0 HB3 LYS A 402 10.882 9.732 -23.403 1.00 0.00 H new ATOM 0 HG2 LYS A 402 11.411 8.262 -25.017 1.00 0.00 H new ATOM 0 HG3 LYS A 402 10.177 7.137 -24.484 1.00 0.00 H new ATOM 0 HD2 LYS A 402 8.540 8.882 -25.675 1.00 0.00 H new ATOM 0 HD3 LYS A 402 9.995 9.319 -26.550 1.00 0.00 H new ATOM 0 HE2 LYS A 402 8.871 6.495 -26.333 1.00 0.00 H new ATOM 0 HE3 LYS A 402 8.654 7.558 -27.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 10.459 6.044 -28.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 11.086 7.617 -27.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 11.254 6.523 -26.691 1.00 0.00 H new ATOM 736 N ASP A 403 11.209 8.779 -20.501 1.00 0.00 N ATOM 737 CA ASP A 403 12.390 8.563 -19.673 1.00 0.00 C ATOM 738 C ASP A 403 12.218 7.328 -18.794 1.00 0.00 C ATOM 739 O ASP A 403 13.198 6.712 -18.374 1.00 0.00 O ATOM 740 CB ASP A 403 12.661 9.791 -18.803 1.00 0.00 C ATOM 741 CG ASP A 403 14.074 9.812 -18.255 1.00 0.00 C ATOM 742 OD1 ASP A 403 14.814 8.833 -18.485 1.00 0.00 O ATOM 743 OD2 ASP A 403 14.440 10.807 -17.594 1.00 0.00 O ATOM 0 H ASP A 403 10.631 9.569 -20.213 1.00 0.00 H new ATOM 0 HA ASP A 403 13.242 8.401 -20.333 1.00 0.00 H new ATOM 0 HB2 ASP A 403 12.489 10.693 -19.390 1.00 0.00 H new ATOM 0 HB3 ASP A 403 11.953 9.809 -17.975 1.00 0.00 H new ATOM 748 N ARG A 404 10.967 6.974 -18.518 1.00 0.00 N ATOM 749 CA ARG A 404 10.668 5.814 -17.686 1.00 0.00 C ATOM 750 C ARG A 404 10.567 4.549 -18.533 1.00 0.00 C ATOM 751 O ARG A 404 11.315 3.594 -18.331 1.00 0.00 O ATOM 752 CB ARG A 404 9.362 6.034 -16.920 1.00 0.00 C ATOM 753 CG ARG A 404 9.526 6.879 -15.667 1.00 0.00 C ATOM 754 CD ARG A 404 10.431 6.200 -14.651 1.00 0.00 C ATOM 755 NE ARG A 404 10.097 6.579 -13.281 1.00 0.00 N ATOM 756 CZ ARG A 404 10.838 6.255 -12.227 1.00 0.00 C ATOM 757 NH1 ARG A 404 11.950 5.550 -12.386 1.00 0.00 N ATOM 758 NH2 ARG A 404 10.468 6.637 -11.012 1.00 0.00 N ATOM 0 H ARG A 404 10.145 7.473 -18.858 1.00 0.00 H new ATOM 0 HA ARG A 404 11.483 5.689 -16.973 1.00 0.00 H new ATOM 0 HB2 ARG A 404 8.640 6.515 -17.580 1.00 0.00 H new ATOM 0 HB3 ARG A 404 8.945 5.066 -16.643 1.00 0.00 H new ATOM 0 HG2 ARG A 404 9.942 7.851 -15.934 1.00 0.00 H new ATOM 0 HG3 ARG A 404 8.549 7.062 -15.220 1.00 0.00 H new ATOM 0 HD2 ARG A 404 10.349 5.118 -14.758 1.00 0.00 H new ATOM 0 HD3 ARG A 404 11.469 6.463 -14.857 1.00 0.00 H new ATOM 0 HE ARG A 404 9.248 7.122 -13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 404 12.238 5.255 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 404 12.517 5.302 -11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 404 9.614 7.180 -10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 404 11.038 6.388 -10.203 1.00 0.00 H new ATOM 772 N MET A 405 9.636 4.552 -19.482 1.00 0.00 N ATOM 773 CA MET A 405 9.437 3.404 -20.360 1.00 0.00 C ATOM 774 C MET A 405 10.755 2.973 -20.997 1.00 0.00 C ATOM 775 O MET A 405 10.979 1.787 -21.238 1.00 0.00 O ATOM 776 CB MET A 405 8.416 3.739 -21.449 1.00 0.00 C ATOM 777 CG MET A 405 8.871 4.844 -22.389 1.00 0.00 C ATOM 778 SD MET A 405 9.689 4.208 -23.864 1.00 0.00 S ATOM 779 CE MET A 405 8.338 3.337 -24.652 1.00 0.00 C ATOM 0 H MET A 405 9.008 5.335 -19.663 1.00 0.00 H new ATOM 0 HA MET A 405 9.057 2.578 -19.758 1.00 0.00 H new ATOM 0 HB2 MET A 405 8.209 2.841 -22.031 1.00 0.00 H new ATOM 0 HB3 MET A 405 7.479 4.037 -20.978 1.00 0.00 H new ATOM 0 HG2 MET A 405 8.009 5.441 -22.685 1.00 0.00 H new ATOM 0 HG3 MET A 405 9.552 5.509 -21.859 1.00 0.00 H new ATOM 0 HE1 MET A 405 8.735 2.529 -25.266 1.00 0.00 H new ATOM 0 HE2 MET A 405 7.678 2.923 -23.890 1.00 0.00 H new ATOM 0 HE3 MET A 405 7.777 4.028 -25.281 1.00 0.00 H new ATOM 789 N SER A 406 11.622 3.943 -21.267 1.00 0.00 N ATOM 790 CA SER A 406 12.915 3.664 -21.880 1.00 0.00 C ATOM 791 C SER A 406 13.787 2.825 -20.950 1.00 0.00 C ATOM 792 O SER A 406 14.394 1.840 -21.371 1.00 0.00 O ATOM 793 CB SER A 406 13.631 4.970 -22.228 1.00 0.00 C ATOM 794 OG SER A 406 15.023 4.761 -22.391 1.00 0.00 O ATOM 0 H SER A 406 11.452 4.930 -21.071 1.00 0.00 H new ATOM 0 HA SER A 406 12.741 3.099 -22.795 1.00 0.00 H new ATOM 0 HB2 SER A 406 13.213 5.384 -23.145 1.00 0.00 H new ATOM 0 HB3 SER A 406 13.460 5.703 -21.440 1.00 0.00 H new ATOM 0 HG SER A 406 15.457 5.611 -22.614 1.00 0.00 H new ATOM 800 N TYR A 407 13.843 3.222 -19.684 1.00 0.00 N ATOM 801 CA TYR A 407 14.642 2.510 -18.694 1.00 0.00 C ATOM 802 C TYR A 407 13.936 1.236 -18.240 1.00 0.00 C ATOM 803 O TYR A 407 14.564 0.322 -17.704 1.00 0.00 O ATOM 804 CB TYR A 407 14.920 3.410 -17.489 1.00 0.00 C ATOM 805 CG TYR A 407 16.273 4.084 -17.536 1.00 0.00 C ATOM 806 CD1 TYR A 407 17.441 3.335 -17.602 1.00 0.00 C ATOM 807 CD2 TYR A 407 16.382 5.469 -17.514 1.00 0.00 C ATOM 808 CE1 TYR A 407 18.680 3.947 -17.644 1.00 0.00 C ATOM 809 CE2 TYR A 407 17.616 6.088 -17.557 1.00 0.00 C ATOM 810 CZ TYR A 407 18.762 5.323 -17.622 1.00 0.00 C ATOM 811 OH TYR A 407 19.993 5.937 -17.664 1.00 0.00 O ATOM 0 H TYR A 407 13.344 4.033 -19.319 1.00 0.00 H new ATOM 0 HA TYR A 407 15.589 2.234 -19.158 1.00 0.00 H new ATOM 0 HB2 TYR A 407 14.145 4.174 -17.430 1.00 0.00 H new ATOM 0 HB3 TYR A 407 14.851 2.815 -16.578 1.00 0.00 H new ATOM 0 HD1 TYR A 407 17.380 2.257 -17.621 1.00 0.00 H new ATOM 0 HD2 TYR A 407 15.487 6.071 -17.462 1.00 0.00 H new ATOM 0 HE1 TYR A 407 19.579 3.350 -17.694 1.00 0.00 H new ATOM 0 HE2 TYR A 407 17.683 7.166 -17.540 1.00 0.00 H new ATOM 0 HH TYR A 407 19.874 6.910 -17.642 1.00 0.00 H new ATOM 821 N HIS A 408 12.626 1.182 -18.458 1.00 0.00 N ATOM 822 CA HIS A 408 11.834 0.020 -18.072 1.00 0.00 C ATOM 823 C HIS A 408 11.953 -1.088 -19.114 1.00 0.00 C ATOM 824 O HIS A 408 12.243 -2.238 -18.782 1.00 0.00 O ATOM 825 CB HIS A 408 10.367 0.413 -17.895 1.00 0.00 C ATOM 826 CG HIS A 408 9.475 -0.741 -17.555 1.00 0.00 C ATOM 827 ND1 HIS A 408 9.316 -1.217 -16.270 1.00 0.00 N ATOM 828 CD2 HIS A 408 8.689 -1.514 -18.341 1.00 0.00 C ATOM 829 CE1 HIS A 408 8.473 -2.234 -16.281 1.00 0.00 C ATOM 830 NE2 HIS A 408 8.077 -2.434 -17.525 1.00 0.00 N ATOM 0 H HIS A 408 12.091 1.929 -18.900 1.00 0.00 H new ATOM 0 HA HIS A 408 12.220 -0.354 -17.123 1.00 0.00 H new ATOM 0 HB2 HIS A 408 10.293 1.163 -17.108 1.00 0.00 H new ATOM 0 HB3 HIS A 408 10.011 0.879 -18.814 1.00 0.00 H new ATOM 0 HD1 HIS A 408 9.777 -0.842 -15.441 1.00 0.00 H new ATOM 0 HD2 HIS A 408 8.566 -1.424 -19.410 1.00 0.00 H new ATOM 0 HE1 HIS A 408 8.161 -2.805 -15.419 1.00 0.00 H new ATOM 838 N VAL A 409 11.726 -0.736 -20.375 1.00 0.00 N ATOM 839 CA VAL A 409 11.809 -1.701 -21.465 1.00 0.00 C ATOM 840 C VAL A 409 13.210 -2.292 -21.571 1.00 0.00 C ATOM 841 O VAL A 409 13.383 -3.511 -21.544 1.00 0.00 O ATOM 842 CB VAL A 409 11.432 -1.058 -22.813 1.00 0.00 C ATOM 843 CG1 VAL A 409 11.563 -2.069 -23.942 1.00 0.00 C ATOM 844 CG2 VAL A 409 10.022 -0.489 -22.757 1.00 0.00 C ATOM 0 H VAL A 409 11.483 0.211 -20.667 1.00 0.00 H new ATOM 0 HA VAL A 409 11.099 -2.496 -21.238 1.00 0.00 H new ATOM 0 HB VAL A 409 12.122 -0.238 -23.010 1.00 0.00 H new ATOM 0 HG11 VAL A 409 11.293 -1.597 -24.886 1.00 0.00 H new ATOM 0 HG12 VAL A 409 12.592 -2.424 -23.995 1.00 0.00 H new ATOM 0 HG13 VAL A 409 10.898 -2.912 -23.754 1.00 0.00 H new ATOM 0 HG21 VAL A 409 9.773 -0.039 -23.718 1.00 0.00 H new ATOM 0 HG22 VAL A 409 9.315 -1.289 -22.537 1.00 0.00 H new ATOM 0 HG23 VAL A 409 9.966 0.269 -21.976 1.00 0.00 H new ATOM 854 N ARG A 410 14.207 -1.421 -21.690 1.00 0.00 N ATOM 855 CA ARG A 410 15.593 -1.858 -21.800 1.00 0.00 C ATOM 856 C ARG A 410 16.001 -2.686 -20.585 1.00 0.00 C ATOM 857 O ARG A 410 16.769 -3.641 -20.702 1.00 0.00 O ATOM 858 CB ARG A 410 16.521 -0.649 -21.940 1.00 0.00 C ATOM 859 CG ARG A 410 16.140 0.281 -23.080 1.00 0.00 C ATOM 860 CD ARG A 410 16.550 -0.292 -24.428 1.00 0.00 C ATOM 861 NE ARG A 410 17.912 0.089 -24.793 1.00 0.00 N ATOM 862 CZ ARG A 410 18.633 -0.549 -25.708 1.00 0.00 C ATOM 863 NH1 ARG A 410 18.125 -1.592 -26.348 1.00 0.00 N ATOM 864 NH2 ARG A 410 19.866 -0.142 -25.985 1.00 0.00 N ATOM 0 H ARG A 410 14.080 -0.409 -21.713 1.00 0.00 H new ATOM 0 HA ARG A 410 15.681 -2.482 -22.690 1.00 0.00 H new ATOM 0 HB2 ARG A 410 16.515 -0.087 -21.006 1.00 0.00 H new ATOM 0 HB3 ARG A 410 17.541 -1.000 -22.094 1.00 0.00 H new ATOM 0 HG2 ARG A 410 15.063 0.451 -23.068 1.00 0.00 H new ATOM 0 HG3 ARG A 410 16.617 1.250 -22.935 1.00 0.00 H new ATOM 0 HD2 ARG A 410 16.473 -1.379 -24.398 1.00 0.00 H new ATOM 0 HD3 ARG A 410 15.858 0.056 -25.195 1.00 0.00 H new ATOM 0 HE ARG A 410 18.332 0.889 -24.319 1.00 0.00 H new ATOM 0 HH11 ARG A 410 17.178 -1.907 -26.139 1.00 0.00 H new ATOM 0 HH12 ARG A 410 18.681 -2.080 -27.050 1.00 0.00 H new ATOM 0 HH21 ARG A 410 20.260 0.661 -25.495 1.00 0.00 H new ATOM 0 HH22 ARG A 410 20.419 -0.632 -26.688 1.00 0.00 H new ATOM 878 N SER A 411 15.481 -2.314 -19.420 1.00 0.00 N ATOM 879 CA SER A 411 15.794 -3.019 -18.182 1.00 0.00 C ATOM 880 C SER A 411 15.554 -4.518 -18.337 1.00 0.00 C ATOM 881 O SER A 411 16.219 -5.334 -17.698 1.00 0.00 O ATOM 882 CB SER A 411 14.948 -2.472 -17.031 1.00 0.00 C ATOM 883 OG SER A 411 14.508 -3.517 -16.180 1.00 0.00 O ATOM 0 H SER A 411 14.841 -1.528 -19.307 1.00 0.00 H new ATOM 0 HA SER A 411 16.848 -2.858 -17.957 1.00 0.00 H new ATOM 0 HB2 SER A 411 15.531 -1.752 -16.457 1.00 0.00 H new ATOM 0 HB3 SER A 411 14.086 -1.937 -17.431 1.00 0.00 H new ATOM 0 HG SER A 411 13.971 -3.141 -15.452 1.00 0.00 H new ATOM 889 N HIS A 412 14.599 -4.874 -19.190 1.00 0.00 N ATOM 890 CA HIS A 412 14.271 -6.275 -19.430 1.00 0.00 C ATOM 891 C HIS A 412 15.168 -6.865 -20.513 1.00 0.00 C ATOM 892 O HIS A 412 15.729 -7.948 -20.346 1.00 0.00 O ATOM 893 CB HIS A 412 12.803 -6.414 -19.834 1.00 0.00 C ATOM 894 CG HIS A 412 11.864 -5.642 -18.960 1.00 0.00 C ATOM 895 ND1 HIS A 412 11.870 -5.733 -17.584 1.00 0.00 N ATOM 896 CD2 HIS A 412 10.887 -4.759 -19.272 1.00 0.00 C ATOM 897 CE1 HIS A 412 10.936 -4.941 -17.088 1.00 0.00 C ATOM 898 NE2 HIS A 412 10.325 -4.338 -18.092 1.00 0.00 N ATOM 0 H HIS A 412 14.039 -4.212 -19.727 1.00 0.00 H new ATOM 0 HA HIS A 412 14.439 -6.826 -18.505 1.00 0.00 H new ATOM 0 HB2 HIS A 412 12.685 -6.079 -20.864 1.00 0.00 H new ATOM 0 HB3 HIS A 412 12.526 -7.468 -19.808 1.00 0.00 H new ATOM 0 HD2 HIS A 412 10.602 -4.444 -20.265 1.00 0.00 H new ATOM 0 HE1 HIS A 412 10.710 -4.809 -16.040 1.00 0.00 H new ATOM 0 HE2 HIS A 412 9.560 -3.669 -18.005 1.00 0.00 H new ATOM 959 N LYS A 418 24.433 -13.475 -27.572 1.00 0.00 N ATOM 960 CA LYS A 418 24.138 -14.665 -28.361 1.00 0.00 C ATOM 961 C LYS A 418 22.641 -14.784 -28.627 1.00 0.00 C ATOM 962 O LYS A 418 21.812 -14.231 -27.904 1.00 0.00 O ATOM 963 CB LYS A 418 24.641 -15.917 -27.640 1.00 0.00 C ATOM 964 CG LYS A 418 26.145 -16.109 -27.731 1.00 0.00 C ATOM 965 CD LYS A 418 26.600 -16.277 -29.171 1.00 0.00 C ATOM 966 CE LYS A 418 28.030 -16.789 -29.247 1.00 0.00 C ATOM 967 NZ LYS A 418 28.776 -16.182 -30.384 1.00 0.00 N ATOM 0 HA LYS A 418 24.652 -14.573 -29.318 1.00 0.00 H new ATOM 0 HB2 LYS A 418 24.353 -15.862 -26.590 1.00 0.00 H new ATOM 0 HB3 LYS A 418 24.145 -16.792 -28.061 1.00 0.00 H new ATOM 0 HG2 LYS A 418 26.650 -15.251 -27.287 1.00 0.00 H new ATOM 0 HG3 LYS A 418 26.436 -16.985 -27.152 1.00 0.00 H new ATOM 0 HD2 LYS A 418 25.936 -16.972 -29.685 1.00 0.00 H new ATOM 0 HD3 LYS A 418 26.526 -15.322 -29.691 1.00 0.00 H new ATOM 0 HE2 LYS A 418 28.546 -16.565 -28.313 1.00 0.00 H new ATOM 0 HE3 LYS A 418 28.022 -17.874 -29.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 29.607 -16.766 -30.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 28.157 -16.131 -31.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 29.086 -15.224 -30.124 1.00 0.00 H new ATOM 981 N PRO A 419 22.284 -15.524 -29.687 1.00 0.00 N ATOM 982 CA PRO A 419 20.885 -15.735 -30.070 1.00 0.00 C ATOM 983 C PRO A 419 20.139 -16.620 -29.078 1.00 0.00 C ATOM 984 O PRO A 419 19.035 -16.289 -28.644 1.00 0.00 O ATOM 985 CB PRO A 419 20.991 -16.429 -31.431 1.00 0.00 C ATOM 986 CG PRO A 419 22.322 -17.098 -31.412 1.00 0.00 C ATOM 987 CD PRO A 419 23.219 -16.213 -30.592 1.00 0.00 C ATOM 0 HA PRO A 419 20.324 -14.801 -30.094 1.00 0.00 H new ATOM 0 HB2 PRO A 419 20.187 -17.151 -31.571 1.00 0.00 H new ATOM 0 HB3 PRO A 419 20.920 -15.711 -32.248 1.00 0.00 H new ATOM 0 HG2 PRO A 419 22.252 -18.094 -30.975 1.00 0.00 H new ATOM 0 HG3 PRO A 419 22.712 -17.220 -32.423 1.00 0.00 H new ATOM 0 HD2 PRO A 419 23.959 -16.792 -30.040 1.00 0.00 H new ATOM 0 HD3 PRO A 419 23.767 -15.508 -31.216 1.00 0.00 H new ATOM 995 N TYR A 420 20.748 -17.746 -28.722 1.00 0.00 N ATOM 996 CA TYR A 420 20.140 -18.680 -27.781 1.00 0.00 C ATOM 997 C TYR A 420 21.005 -18.838 -26.535 1.00 0.00 C ATOM 998 O TYR A 420 22.230 -18.929 -26.623 1.00 0.00 O ATOM 999 CB TYR A 420 19.930 -20.041 -28.446 1.00 0.00 C ATOM 1000 CG TYR A 420 19.131 -19.972 -29.728 1.00 0.00 C ATOM 1001 CD1 TYR A 420 17.768 -19.705 -29.707 1.00 0.00 C ATOM 1002 CD2 TYR A 420 19.740 -20.173 -30.961 1.00 0.00 C ATOM 1003 CE1 TYR A 420 17.034 -19.642 -30.876 1.00 0.00 C ATOM 1004 CE2 TYR A 420 19.015 -20.110 -32.135 1.00 0.00 C ATOM 1005 CZ TYR A 420 17.662 -19.844 -32.087 1.00 0.00 C ATOM 1006 OH TYR A 420 16.936 -19.782 -33.254 1.00 0.00 O ATOM 0 H TYR A 420 21.662 -18.034 -29.071 1.00 0.00 H new ATOM 0 HA TYR A 420 19.173 -18.277 -27.481 1.00 0.00 H new ATOM 0 HB2 TYR A 420 20.902 -20.487 -28.657 1.00 0.00 H new ATOM 0 HB3 TYR A 420 19.421 -20.703 -27.746 1.00 0.00 H new ATOM 0 HD1 TYR A 420 17.273 -19.544 -28.761 1.00 0.00 H new ATOM 0 HD2 TYR A 420 20.799 -20.382 -31.002 1.00 0.00 H new ATOM 0 HE1 TYR A 420 15.974 -19.436 -30.841 1.00 0.00 H new ATOM 0 HE2 TYR A 420 19.504 -20.268 -33.085 1.00 0.00 H new ATOM 0 HH TYR A 420 17.529 -19.946 -34.017 1.00 0.00 H new ATOM 1016 N ILE A 421 20.359 -18.871 -25.374 1.00 0.00 N ATOM 1017 CA ILE A 421 21.068 -19.021 -24.110 1.00 0.00 C ATOM 1018 C ILE A 421 20.503 -20.181 -23.297 1.00 0.00 C ATOM 1019 O ILE A 421 19.305 -20.460 -23.342 1.00 0.00 O ATOM 1020 CB ILE A 421 20.993 -17.734 -23.267 1.00 0.00 C ATOM 1021 CG1 ILE A 421 19.537 -17.292 -23.099 1.00 0.00 C ATOM 1022 CG2 ILE A 421 21.816 -16.629 -23.912 1.00 0.00 C ATOM 1023 CD1 ILE A 421 19.047 -16.392 -24.212 1.00 0.00 C ATOM 0 H ILE A 421 19.346 -18.796 -25.283 1.00 0.00 H new ATOM 0 HA ILE A 421 22.110 -19.226 -24.355 1.00 0.00 H new ATOM 0 HB ILE A 421 21.407 -17.940 -22.280 1.00 0.00 H new ATOM 0 HG12 ILE A 421 18.901 -18.176 -23.050 1.00 0.00 H new ATOM 0 HG13 ILE A 421 19.431 -16.770 -22.148 1.00 0.00 H new ATOM 0 HG21 ILE A 421 21.753 -15.726 -23.304 1.00 0.00 H new ATOM 0 HG22 ILE A 421 22.857 -16.945 -23.985 1.00 0.00 H new ATOM 0 HG23 ILE A 421 21.429 -16.422 -24.910 1.00 0.00 H new ATOM 0 HD11 ILE A 421 18.008 -16.118 -24.028 1.00 0.00 H new ATOM 0 HD12 ILE A 421 19.659 -15.491 -24.247 1.00 0.00 H new ATOM 0 HD13 ILE A 421 19.120 -16.918 -25.164 1.00 0.00 H new ATOM 1035 N CYS A 422 21.374 -20.853 -22.552 1.00 0.00 N ATOM 1036 CA CYS A 422 20.964 -21.983 -21.727 1.00 0.00 C ATOM 1037 C CYS A 422 19.786 -21.605 -20.834 1.00 0.00 C ATOM 1038 O CYS A 422 19.545 -20.427 -20.573 1.00 0.00 O ATOM 1039 CB CYS A 422 22.135 -22.466 -20.868 1.00 0.00 C ATOM 1040 SG CYS A 422 21.937 -24.159 -20.225 1.00 0.00 S ATOM 0 H CYS A 422 22.369 -20.634 -22.503 1.00 0.00 H new ATOM 0 HA CYS A 422 20.651 -22.790 -22.390 1.00 0.00 H new ATOM 0 HB2 CYS A 422 23.049 -22.418 -21.459 1.00 0.00 H new ATOM 0 HB3 CYS A 422 22.262 -21.783 -20.028 1.00 0.00 H new ATOM 0 HG CYS A 422 22.663 -24.305 -19.156 1.00 0.00 H new ATOM 1045 N GLN A 423 19.055 -22.614 -20.370 1.00 0.00 N ATOM 1046 CA GLN A 423 17.902 -22.387 -19.507 1.00 0.00 C ATOM 1047 C GLN A 423 18.300 -22.452 -18.037 1.00 0.00 C ATOM 1048 O GLN A 423 17.493 -22.170 -17.151 1.00 0.00 O ATOM 1049 CB GLN A 423 16.810 -23.418 -19.798 1.00 0.00 C ATOM 1050 CG GLN A 423 15.658 -22.868 -20.623 1.00 0.00 C ATOM 1051 CD GLN A 423 14.531 -23.868 -20.793 1.00 0.00 C ATOM 1052 OE1 GLN A 423 13.476 -23.744 -20.171 1.00 0.00 O ATOM 1053 NE2 GLN A 423 14.750 -24.868 -21.639 1.00 0.00 N ATOM 0 H GLN A 423 19.241 -23.595 -20.577 1.00 0.00 H new ATOM 0 HA GLN A 423 17.515 -21.389 -19.715 1.00 0.00 H new ATOM 0 HB2 GLN A 423 17.252 -24.264 -20.325 1.00 0.00 H new ATOM 0 HB3 GLN A 423 16.420 -23.799 -18.854 1.00 0.00 H new ATOM 0 HG2 GLN A 423 15.271 -21.968 -20.145 1.00 0.00 H new ATOM 0 HG3 GLN A 423 16.028 -22.573 -21.605 1.00 0.00 H new ATOM 0 HE21 GLN A 423 15.640 -24.932 -22.134 1.00 0.00 H new ATOM 0 HE22 GLN A 423 14.028 -25.572 -21.794 1.00 0.00 H new ATOM 1062 N SER A 424 19.550 -22.827 -17.784 1.00 0.00 N ATOM 1063 CA SER A 424 20.055 -22.934 -16.420 1.00 0.00 C ATOM 1064 C SER A 424 21.057 -21.823 -16.123 1.00 0.00 C ATOM 1065 O SER A 424 20.743 -20.857 -15.427 1.00 0.00 O ATOM 1066 CB SER A 424 20.711 -24.299 -16.202 1.00 0.00 C ATOM 1067 OG SER A 424 19.836 -25.183 -15.523 1.00 0.00 O ATOM 0 H SER A 424 20.232 -23.062 -18.506 1.00 0.00 H new ATOM 0 HA SER A 424 19.211 -22.831 -15.738 1.00 0.00 H new ATOM 0 HB2 SER A 424 20.993 -24.728 -17.164 1.00 0.00 H new ATOM 0 HB3 SER A 424 21.629 -24.177 -15.626 1.00 0.00 H new ATOM 0 HG SER A 424 20.278 -26.049 -15.398 1.00 0.00 H new ATOM 1073 N CYS A 425 22.266 -21.966 -16.656 1.00 0.00 N ATOM 1074 CA CYS A 425 23.316 -20.976 -16.449 1.00 0.00 C ATOM 1075 C CYS A 425 23.086 -19.748 -17.326 1.00 0.00 C ATOM 1076 O CYS A 425 23.657 -18.685 -17.085 1.00 0.00 O ATOM 1077 CB CYS A 425 24.687 -21.585 -16.754 1.00 0.00 C ATOM 1078 SG CYS A 425 24.857 -22.219 -18.453 1.00 0.00 S ATOM 0 H CYS A 425 22.543 -22.759 -17.235 1.00 0.00 H new ATOM 0 HA CYS A 425 23.288 -20.665 -15.405 1.00 0.00 H new ATOM 0 HB2 CYS A 425 25.455 -20.831 -16.581 1.00 0.00 H new ATOM 0 HB3 CYS A 425 24.875 -22.398 -16.053 1.00 0.00 H new ATOM 0 HG CYS A 425 25.126 -23.490 -18.417 1.00 0.00 H new ATOM 1083 N GLY A 426 22.245 -19.904 -18.344 1.00 0.00 N ATOM 1084 CA GLY A 426 21.954 -18.800 -19.241 1.00 0.00 C ATOM 1085 C GLY A 426 23.210 -18.111 -19.738 1.00 0.00 C ATOM 1086 O GLY A 426 23.421 -16.926 -19.479 1.00 0.00 O ATOM 0 H GLY A 426 21.760 -20.774 -18.564 1.00 0.00 H new ATOM 0 HA2 GLY A 426 21.384 -19.169 -20.094 1.00 0.00 H new ATOM 0 HA3 GLY A 426 21.324 -18.074 -18.727 1.00 0.00 H new ATOM 1090 N LYS A 427 24.047 -18.855 -20.453 1.00 0.00 N ATOM 1091 CA LYS A 427 25.289 -18.309 -20.989 1.00 0.00 C ATOM 1092 C LYS A 427 25.067 -17.708 -22.373 1.00 0.00 C ATOM 1093 O LYS A 427 25.006 -16.490 -22.529 1.00 0.00 O ATOM 1094 CB LYS A 427 26.360 -19.400 -21.060 1.00 0.00 C ATOM 1095 CG LYS A 427 27.673 -18.924 -21.656 1.00 0.00 C ATOM 1096 CD LYS A 427 28.736 -20.009 -21.600 1.00 0.00 C ATOM 1097 CE LYS A 427 29.894 -19.609 -20.699 1.00 0.00 C ATOM 1098 NZ LYS A 427 30.970 -20.639 -20.688 1.00 0.00 N ATOM 0 H LYS A 427 23.888 -19.838 -20.675 1.00 0.00 H new ATOM 0 HA LYS A 427 25.628 -17.518 -20.320 1.00 0.00 H new ATOM 0 HB2 LYS A 427 26.544 -19.783 -20.056 1.00 0.00 H new ATOM 0 HB3 LYS A 427 25.981 -20.232 -21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 427 27.515 -18.621 -22.691 1.00 0.00 H new ATOM 0 HG3 LYS A 427 28.021 -18.044 -21.116 1.00 0.00 H new ATOM 0 HD2 LYS A 427 28.293 -20.935 -21.235 1.00 0.00 H new ATOM 0 HD3 LYS A 427 29.108 -20.208 -22.605 1.00 0.00 H new ATOM 0 HE2 LYS A 427 30.305 -18.658 -21.037 1.00 0.00 H new ATOM 0 HE3 LYS A 427 29.528 -19.455 -19.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 31.741 -20.329 -20.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 30.584 -21.540 -20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 31.337 -20.768 -21.652 1.00 0.00 H new ATOM 1112 N GLY A 428 24.945 -18.573 -23.376 1.00 0.00 N ATOM 1113 CA GLY A 428 24.731 -18.109 -24.734 1.00 0.00 C ATOM 1114 C GLY A 428 25.574 -18.861 -25.744 1.00 0.00 C ATOM 1115 O GLY A 428 26.772 -19.057 -25.540 1.00 0.00 O ATOM 0 H GLY A 428 24.991 -19.587 -23.272 1.00 0.00 H new ATOM 0 HA2 GLY A 428 23.677 -18.220 -24.991 1.00 0.00 H new ATOM 0 HA3 GLY A 428 24.963 -17.046 -24.792 1.00 0.00 H new ATOM 1119 N PHE A 429 24.948 -19.284 -26.837 1.00 0.00 N ATOM 1120 CA PHE A 429 25.648 -20.021 -27.883 1.00 0.00 C ATOM 1121 C PHE A 429 25.248 -19.516 -29.266 1.00 0.00 C ATOM 1122 O PHE A 429 24.072 -19.270 -29.533 1.00 0.00 O ATOM 1123 CB PHE A 429 25.349 -21.517 -27.768 1.00 0.00 C ATOM 1124 CG PHE A 429 25.946 -22.156 -26.546 1.00 0.00 C ATOM 1125 CD1 PHE A 429 25.320 -22.047 -25.315 1.00 0.00 C ATOM 1126 CD2 PHE A 429 27.133 -22.865 -26.629 1.00 0.00 C ATOM 1127 CE1 PHE A 429 25.867 -22.633 -24.190 1.00 0.00 C ATOM 1128 CE2 PHE A 429 27.686 -23.454 -25.507 1.00 0.00 C ATOM 1129 CZ PHE A 429 27.051 -23.338 -24.286 1.00 0.00 C ATOM 0 H PHE A 429 23.957 -19.129 -27.022 1.00 0.00 H new ATOM 0 HA PHE A 429 26.718 -19.859 -27.753 1.00 0.00 H new ATOM 0 HB2 PHE A 429 24.269 -21.663 -27.754 1.00 0.00 H new ATOM 0 HB3 PHE A 429 25.728 -22.024 -28.655 1.00 0.00 H new ATOM 0 HD1 PHE A 429 24.394 -21.498 -25.234 1.00 0.00 H new ATOM 0 HD2 PHE A 429 27.633 -22.959 -27.582 1.00 0.00 H new ATOM 0 HE1 PHE A 429 25.369 -22.540 -23.236 1.00 0.00 H new ATOM 0 HE2 PHE A 429 28.612 -24.004 -25.585 1.00 0.00 H new ATOM 0 HZ PHE A 429 27.479 -23.798 -23.408 1.00 0.00 H new ATOM 1139 N SER A 430 26.236 -19.363 -30.142 1.00 0.00 N ATOM 1140 CA SER A 430 25.989 -18.882 -31.496 1.00 0.00 C ATOM 1141 C SER A 430 24.914 -19.720 -32.182 1.00 0.00 C ATOM 1142 O SER A 430 23.904 -19.192 -32.648 1.00 0.00 O ATOM 1143 CB SER A 430 27.280 -18.919 -32.316 1.00 0.00 C ATOM 1144 OG SER A 430 28.229 -19.796 -31.734 1.00 0.00 O ATOM 0 H SER A 430 27.215 -19.565 -29.938 1.00 0.00 H new ATOM 0 HA SER A 430 25.637 -17.852 -31.431 1.00 0.00 H new ATOM 0 HB2 SER A 430 27.059 -19.241 -33.334 1.00 0.00 H new ATOM 0 HB3 SER A 430 27.701 -17.916 -32.383 1.00 0.00 H new ATOM 0 HG SER A 430 29.044 -19.803 -32.278 1.00 0.00 H new ATOM 1150 N ARG A 431 25.138 -21.028 -32.239 1.00 0.00 N ATOM 1151 CA ARG A 431 24.190 -21.939 -32.869 1.00 0.00 C ATOM 1152 C ARG A 431 23.364 -22.675 -31.818 1.00 0.00 C ATOM 1153 O ARG A 431 23.737 -22.761 -30.648 1.00 0.00 O ATOM 1154 CB ARG A 431 24.929 -22.948 -33.751 1.00 0.00 C ATOM 1155 CG ARG A 431 24.942 -22.574 -35.224 1.00 0.00 C ATOM 1156 CD ARG A 431 26.024 -21.550 -35.529 1.00 0.00 C ATOM 1157 NE ARG A 431 26.456 -21.609 -36.923 1.00 0.00 N ATOM 1158 CZ ARG A 431 25.750 -21.112 -37.932 1.00 0.00 C ATOM 1159 NH1 ARG A 431 24.584 -20.523 -37.703 1.00 0.00 N ATOM 1160 NH2 ARG A 431 26.209 -21.204 -39.174 1.00 0.00 N ATOM 0 H ARG A 431 25.968 -21.481 -31.857 1.00 0.00 H new ATOM 0 HA ARG A 431 23.515 -21.350 -33.490 1.00 0.00 H new ATOM 0 HB2 ARG A 431 25.957 -23.041 -33.399 1.00 0.00 H new ATOM 0 HB3 ARG A 431 24.463 -23.927 -33.637 1.00 0.00 H new ATOM 0 HG2 ARG A 431 25.105 -23.468 -35.826 1.00 0.00 H new ATOM 0 HG3 ARG A 431 23.969 -22.172 -35.507 1.00 0.00 H new ATOM 0 HD2 ARG A 431 25.650 -20.550 -35.307 1.00 0.00 H new ATOM 0 HD3 ARG A 431 26.880 -21.722 -34.877 1.00 0.00 H new ATOM 0 HE ARG A 431 27.348 -22.056 -37.133 1.00 0.00 H new ATOM 0 HH11 ARG A 431 24.228 -20.451 -36.750 1.00 0.00 H new ATOM 0 HH12 ARG A 431 24.044 -20.142 -38.480 1.00 0.00 H new ATOM 0 HH21 ARG A 431 27.105 -21.657 -39.354 1.00 0.00 H new ATOM 0 HH22 ARG A 431 25.666 -20.822 -39.948 1.00 0.00 H new ATOM 1174 N PRO A 432 22.214 -23.219 -32.243 1.00 0.00 N ATOM 1175 CA PRO A 432 21.311 -23.957 -31.355 1.00 0.00 C ATOM 1176 C PRO A 432 21.895 -25.295 -30.917 1.00 0.00 C ATOM 1177 O PRO A 432 21.887 -25.629 -29.732 1.00 0.00 O ATOM 1178 CB PRO A 432 20.065 -24.174 -32.217 1.00 0.00 C ATOM 1179 CG PRO A 432 20.563 -24.131 -33.621 1.00 0.00 C ATOM 1180 CD PRO A 432 21.707 -23.155 -33.625 1.00 0.00 C ATOM 0 HA PRO A 432 21.117 -23.415 -30.429 1.00 0.00 H new ATOM 0 HB2 PRO A 432 19.591 -25.130 -31.994 1.00 0.00 H new ATOM 0 HB3 PRO A 432 19.320 -23.399 -32.037 1.00 0.00 H new ATOM 0 HG2 PRO A 432 20.891 -25.117 -33.949 1.00 0.00 H new ATOM 0 HG3 PRO A 432 19.776 -23.813 -34.305 1.00 0.00 H new ATOM 0 HD2 PRO A 432 22.473 -23.436 -34.348 1.00 0.00 H new ATOM 0 HD3 PRO A 432 21.377 -22.150 -33.886 1.00 0.00 H new ATOM 1188 N ASP A 433 22.402 -26.058 -31.879 1.00 0.00 N ATOM 1189 CA ASP A 433 22.992 -27.360 -31.592 1.00 0.00 C ATOM 1190 C ASP A 433 24.060 -27.246 -30.508 1.00 0.00 C ATOM 1191 O ASP A 433 24.229 -28.151 -29.690 1.00 0.00 O ATOM 1192 CB ASP A 433 23.598 -27.961 -32.861 1.00 0.00 C ATOM 1193 CG ASP A 433 23.021 -29.324 -33.189 1.00 0.00 C ATOM 1194 OD1 ASP A 433 23.024 -30.199 -32.298 1.00 0.00 O ATOM 1195 OD2 ASP A 433 22.568 -29.517 -34.337 1.00 0.00 O ATOM 0 H ASP A 433 22.416 -25.797 -32.865 1.00 0.00 H new ATOM 0 HA ASP A 433 22.201 -28.017 -31.230 1.00 0.00 H new ATOM 0 HB2 ASP A 433 23.424 -27.285 -33.698 1.00 0.00 H new ATOM 0 HB3 ASP A 433 24.678 -28.047 -32.739 1.00 0.00 H new ATOM 1200 N HIS A 434 24.779 -26.128 -30.510 1.00 0.00 N ATOM 1201 CA HIS A 434 25.832 -25.895 -29.527 1.00 0.00 C ATOM 1202 C HIS A 434 25.258 -25.860 -28.114 1.00 0.00 C ATOM 1203 O HIS A 434 25.931 -26.226 -27.149 1.00 0.00 O ATOM 1204 CB HIS A 434 26.558 -24.584 -29.827 1.00 0.00 C ATOM 1205 CG HIS A 434 27.347 -24.614 -31.100 1.00 0.00 C ATOM 1206 ND1 HIS A 434 28.517 -23.906 -31.278 1.00 0.00 N ATOM 1207 CD2 HIS A 434 27.128 -25.274 -32.262 1.00 0.00 C ATOM 1208 CE1 HIS A 434 28.983 -24.128 -32.494 1.00 0.00 C ATOM 1209 NE2 HIS A 434 28.159 -24.955 -33.111 1.00 0.00 N ATOM 0 H HIS A 434 24.652 -25.370 -31.180 1.00 0.00 H new ATOM 0 HA HIS A 434 26.543 -26.718 -29.591 1.00 0.00 H new ATOM 0 HB2 HIS A 434 25.827 -23.777 -29.881 1.00 0.00 H new ATOM 0 HB3 HIS A 434 27.228 -24.352 -28.999 1.00 0.00 H new ATOM 0 HD2 HIS A 434 26.297 -25.929 -32.480 1.00 0.00 H new ATOM 0 HE1 HIS A 434 29.884 -23.705 -32.912 1.00 0.00 H new ATOM 0 HE2 HIS A 434 28.270 -25.301 -34.064 1.00 0.00 H new ATOM 1217 N LEU A 435 24.010 -25.418 -27.998 1.00 0.00 N ATOM 1218 CA LEU A 435 23.346 -25.334 -26.702 1.00 0.00 C ATOM 1219 C LEU A 435 22.817 -26.699 -26.272 1.00 0.00 C ATOM 1220 O LEU A 435 22.796 -27.022 -25.085 1.00 0.00 O ATOM 1221 CB LEU A 435 22.197 -24.326 -26.760 1.00 0.00 C ATOM 1222 CG LEU A 435 21.371 -24.174 -25.482 1.00 0.00 C ATOM 1223 CD1 LEU A 435 22.237 -23.650 -24.347 1.00 0.00 C ATOM 1224 CD2 LEU A 435 20.184 -23.252 -25.720 1.00 0.00 C ATOM 0 H LEU A 435 23.438 -25.113 -28.785 1.00 0.00 H new ATOM 0 HA LEU A 435 24.079 -25.000 -25.967 1.00 0.00 H new ATOM 0 HB2 LEU A 435 22.609 -23.351 -27.021 1.00 0.00 H new ATOM 0 HB3 LEU A 435 21.527 -24.616 -27.569 1.00 0.00 H new ATOM 0 HG LEU A 435 20.991 -25.155 -25.199 1.00 0.00 H new ATOM 0 HD11 LEU A 435 21.633 -23.548 -23.446 1.00 0.00 H new ATOM 0 HD12 LEU A 435 23.053 -24.348 -24.160 1.00 0.00 H new ATOM 0 HD13 LEU A 435 22.647 -22.678 -24.621 1.00 0.00 H new ATOM 0 HD21 LEU A 435 19.608 -23.156 -24.800 1.00 0.00 H new ATOM 0 HD22 LEU A 435 20.542 -22.270 -26.028 1.00 0.00 H new ATOM 0 HD23 LEU A 435 19.550 -23.669 -26.503 1.00 0.00 H new ATOM 1236 N ASN A 436 22.393 -27.498 -27.247 1.00 0.00 N ATOM 1237 CA ASN A 436 21.866 -28.829 -26.969 1.00 0.00 C ATOM 1238 C ASN A 436 22.923 -29.704 -26.301 1.00 0.00 C ATOM 1239 O ASN A 436 22.629 -30.443 -25.363 1.00 0.00 O ATOM 1240 CB ASN A 436 21.384 -29.489 -28.262 1.00 0.00 C ATOM 1241 CG ASN A 436 21.143 -30.977 -28.096 1.00 0.00 C ATOM 1242 OD1 ASN A 436 20.028 -31.407 -27.797 1.00 0.00 O ATOM 1243 ND2 ASN A 436 22.189 -31.772 -28.291 1.00 0.00 N ATOM 0 H ASN A 436 22.404 -27.247 -28.235 1.00 0.00 H new ATOM 0 HA ASN A 436 21.023 -28.724 -26.286 1.00 0.00 H new ATOM 0 HB2 ASN A 436 20.462 -29.009 -28.590 1.00 0.00 H new ATOM 0 HB3 ASN A 436 22.124 -29.329 -29.046 1.00 0.00 H new ATOM 0 HD21 ASN A 436 22.087 -32.782 -28.194 1.00 0.00 H new ATOM 0 HD22 ASN A 436 23.094 -31.372 -28.537 1.00 0.00 H new ATOM 1250 N GLY A 437 24.155 -29.613 -26.792 1.00 0.00 N ATOM 1251 CA GLY A 437 25.237 -30.401 -26.231 1.00 0.00 C ATOM 1252 C GLY A 437 25.610 -29.959 -24.830 1.00 0.00 C ATOM 1253 O GLY A 437 25.962 -30.782 -23.984 1.00 0.00 O ATOM 0 H GLY A 437 24.423 -29.008 -27.568 1.00 0.00 H new ATOM 0 HA2 GLY A 437 24.945 -31.451 -26.212 1.00 0.00 H new ATOM 0 HA3 GLY A 437 26.111 -30.325 -26.878 1.00 0.00 H new ATOM 1257 N HIS A 438 25.534 -28.655 -24.582 1.00 0.00 N ATOM 1258 CA HIS A 438 25.867 -28.105 -23.273 1.00 0.00 C ATOM 1259 C HIS A 438 24.918 -28.636 -22.203 1.00 0.00 C ATOM 1260 O HIS A 438 25.350 -29.050 -21.127 1.00 0.00 O ATOM 1261 CB HIS A 438 25.811 -26.577 -23.309 1.00 0.00 C ATOM 1262 CG HIS A 438 25.874 -25.944 -21.953 1.00 0.00 C ATOM 1263 ND1 HIS A 438 27.041 -25.456 -21.404 1.00 0.00 N ATOM 1264 CD2 HIS A 438 24.905 -25.717 -21.036 1.00 0.00 C ATOM 1265 CE1 HIS A 438 26.787 -24.958 -20.207 1.00 0.00 C ATOM 1266 NE2 HIS A 438 25.498 -25.104 -19.960 1.00 0.00 N ATOM 0 H HIS A 438 25.245 -27.960 -25.270 1.00 0.00 H new ATOM 0 HA HIS A 438 26.880 -28.418 -23.022 1.00 0.00 H new ATOM 0 HB2 HIS A 438 26.638 -26.205 -23.913 1.00 0.00 H new ATOM 0 HB3 HIS A 438 24.891 -26.267 -23.804 1.00 0.00 H new ATOM 0 HD1 HIS A 438 27.957 -25.476 -21.852 1.00 0.00 H new ATOM 0 HD2 HIS A 438 23.860 -25.971 -21.133 1.00 0.00 H new ATOM 0 HE1 HIS A 438 27.511 -24.508 -19.543 1.00 0.00 H new ATOM 1274 N ILE A 439 23.624 -28.619 -22.506 1.00 0.00 N ATOM 1275 CA ILE A 439 22.615 -29.099 -21.570 1.00 0.00 C ATOM 1276 C ILE A 439 22.957 -30.494 -21.060 1.00 0.00 C ATOM 1277 O ILE A 439 22.697 -30.826 -19.903 1.00 0.00 O ATOM 1278 CB ILE A 439 21.217 -29.129 -22.216 1.00 0.00 C ATOM 1279 CG1 ILE A 439 20.818 -27.728 -22.685 1.00 0.00 C ATOM 1280 CG2 ILE A 439 20.192 -29.677 -21.235 1.00 0.00 C ATOM 1281 CD1 ILE A 439 20.052 -27.724 -23.989 1.00 0.00 C ATOM 0 H ILE A 439 23.250 -28.278 -23.392 1.00 0.00 H new ATOM 0 HA ILE A 439 22.605 -28.401 -20.732 1.00 0.00 H new ATOM 0 HB ILE A 439 21.248 -29.787 -23.084 1.00 0.00 H new ATOM 0 HG12 ILE A 439 20.210 -27.255 -21.914 1.00 0.00 H new ATOM 0 HG13 ILE A 439 21.717 -27.122 -22.799 1.00 0.00 H new ATOM 0 HG21 ILE A 439 19.209 -29.692 -21.706 1.00 0.00 H new ATOM 0 HG22 ILE A 439 20.471 -30.690 -20.945 1.00 0.00 H new ATOM 0 HG23 ILE A 439 20.160 -29.042 -20.349 1.00 0.00 H new ATOM 0 HD11 ILE A 439 19.802 -26.699 -24.261 1.00 0.00 H new ATOM 0 HD12 ILE A 439 20.666 -28.168 -24.773 1.00 0.00 H new ATOM 0 HD13 ILE A 439 19.136 -28.303 -23.874 1.00 0.00 H new ATOM 1293 N LYS A 440 23.545 -31.308 -21.930 1.00 0.00 N ATOM 1294 CA LYS A 440 23.927 -32.668 -21.569 1.00 0.00 C ATOM 1295 C LYS A 440 25.361 -32.711 -21.049 1.00 0.00 C ATOM 1296 O LYS A 440 25.747 -33.644 -20.346 1.00 0.00 O ATOM 1297 CB LYS A 440 23.783 -33.598 -22.776 1.00 0.00 C ATOM 1298 CG LYS A 440 22.866 -34.783 -22.525 1.00 0.00 C ATOM 1299 CD LYS A 440 21.685 -34.787 -23.481 1.00 0.00 C ATOM 1300 CE LYS A 440 20.572 -35.699 -22.988 1.00 0.00 C ATOM 1301 NZ LYS A 440 19.864 -35.124 -21.811 1.00 0.00 N ATOM 0 H LYS A 440 23.768 -31.049 -22.891 1.00 0.00 H new ATOM 0 HA LYS A 440 23.261 -33.007 -20.775 1.00 0.00 H new ATOM 0 HB2 LYS A 440 23.400 -33.026 -23.621 1.00 0.00 H new ATOM 0 HB3 LYS A 440 24.769 -33.966 -23.060 1.00 0.00 H new ATOM 0 HG2 LYS A 440 23.429 -35.710 -22.637 1.00 0.00 H new ATOM 0 HG3 LYS A 440 22.503 -34.752 -21.498 1.00 0.00 H new ATOM 0 HD2 LYS A 440 21.303 -33.772 -23.593 1.00 0.00 H new ATOM 0 HD3 LYS A 440 22.015 -35.114 -24.467 1.00 0.00 H new ATOM 0 HE2 LYS A 440 19.858 -35.869 -23.794 1.00 0.00 H new ATOM 0 HE3 LYS A 440 20.989 -36.670 -22.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 18.961 -35.621 -21.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 20.455 -35.235 -20.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 19.681 -34.114 -21.976 1.00 0.00 H new ATOM 1315 N GLN A 441 26.143 -31.695 -21.400 1.00 0.00 N ATOM 1316 CA GLN A 441 27.533 -31.617 -20.967 1.00 0.00 C ATOM 1317 C GLN A 441 27.624 -31.271 -19.485 1.00 0.00 C ATOM 1318 O GLN A 441 28.058 -32.087 -18.671 1.00 0.00 O ATOM 1319 CB GLN A 441 28.289 -30.575 -21.794 1.00 0.00 C ATOM 1320 CG GLN A 441 29.794 -30.787 -21.810 1.00 0.00 C ATOM 1321 CD GLN A 441 30.434 -30.533 -20.460 1.00 0.00 C ATOM 1322 OE1 GLN A 441 30.639 -31.457 -19.673 1.00 0.00 O ATOM 1323 NE2 GLN A 441 30.755 -29.274 -20.184 1.00 0.00 N ATOM 0 H GLN A 441 25.838 -30.915 -21.982 1.00 0.00 H new ATOM 0 HA GLN A 441 27.990 -32.594 -21.121 1.00 0.00 H new ATOM 0 HB2 GLN A 441 27.917 -30.596 -22.818 1.00 0.00 H new ATOM 0 HB3 GLN A 441 28.074 -29.583 -21.397 1.00 0.00 H new ATOM 0 HG2 GLN A 441 30.010 -31.808 -22.124 1.00 0.00 H new ATOM 0 HG3 GLN A 441 30.242 -30.125 -22.551 1.00 0.00 H new ATOM 0 HE21 GLN A 441 30.567 -28.539 -20.866 1.00 0.00 H new ATOM 0 HE22 GLN A 441 31.189 -29.043 -19.291 1.00 0.00 H new ATOM 1332 N VAL A 442 27.211 -30.056 -19.140 1.00 0.00 N ATOM 1333 CA VAL A 442 27.245 -29.602 -17.755 1.00 0.00 C ATOM 1334 C VAL A 442 26.004 -30.058 -16.996 1.00 0.00 C ATOM 1335 O VAL A 442 26.101 -30.766 -15.994 1.00 0.00 O ATOM 1336 CB VAL A 442 27.350 -28.067 -17.669 1.00 0.00 C ATOM 1337 CG1 VAL A 442 27.570 -27.626 -16.230 1.00 0.00 C ATOM 1338 CG2 VAL A 442 28.468 -27.560 -18.568 1.00 0.00 C ATOM 0 H VAL A 442 26.849 -29.368 -19.801 1.00 0.00 H new ATOM 0 HA VAL A 442 28.130 -30.046 -17.299 1.00 0.00 H new ATOM 0 HB VAL A 442 26.411 -27.635 -18.016 1.00 0.00 H new ATOM 0 HG11 VAL A 442 27.642 -26.539 -16.189 1.00 0.00 H new ATOM 0 HG12 VAL A 442 26.733 -27.958 -15.616 1.00 0.00 H new ATOM 0 HG13 VAL A 442 28.493 -28.065 -15.852 1.00 0.00 H new ATOM 0 HG21 VAL A 442 28.529 -26.474 -18.496 1.00 0.00 H new ATOM 0 HG22 VAL A 442 29.415 -27.998 -18.253 1.00 0.00 H new ATOM 0 HG23 VAL A 442 28.262 -27.844 -19.600 1.00 0.00 H new ATOM 1348 N HIS A 443 24.836 -29.647 -17.482 1.00 0.00 N ATOM 1349 CA HIS A 443 23.574 -30.014 -16.850 1.00 0.00 C ATOM 1350 C HIS A 443 23.176 -31.440 -17.220 1.00 0.00 C ATOM 1351 O HIS A 443 23.949 -32.169 -17.842 1.00 0.00 O ATOM 1352 CB HIS A 443 22.470 -29.041 -17.264 1.00 0.00 C ATOM 1353 CG HIS A 443 22.872 -27.602 -17.165 1.00 0.00 C ATOM 1354 ND1 HIS A 443 23.301 -27.019 -15.991 1.00 0.00 N ATOM 1355 CD2 HIS A 443 22.911 -26.627 -18.103 1.00 0.00 C ATOM 1356 CE1 HIS A 443 23.584 -25.748 -16.210 1.00 0.00 C ATOM 1357 NE2 HIS A 443 23.357 -25.484 -17.484 1.00 0.00 N ATOM 0 H HIS A 443 24.738 -29.060 -18.311 1.00 0.00 H new ATOM 0 HA HIS A 443 23.708 -29.961 -15.770 1.00 0.00 H new ATOM 0 HB2 HIS A 443 22.173 -29.257 -18.290 1.00 0.00 H new ATOM 0 HB3 HIS A 443 21.595 -29.209 -16.637 1.00 0.00 H new ATOM 0 HD1 HIS A 443 23.386 -27.496 -15.093 1.00 0.00 H new ATOM 0 HD2 HIS A 443 22.642 -26.728 -19.144 1.00 0.00 H new ATOM 0 HE1 HIS A 443 23.940 -25.044 -15.473 1.00 0.00 H new