USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 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 423 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Set 1.2: A 424 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 422 CYS SG : rot -149:sc= -0.0662 USER MOD Set 2.2: A 425 CYS SG : rot 180:sc= 0.0672 USER MOD Set 2.3: A 438 HIS : no HD1:sc= -3.26! C(o=-3.8!,f=-6!) USER MOD Set 2.4: A 443 HIS : no HE2:sc= -0.558 K(o=-3.8,f=-4.7) USER MOD Set 3.1: A 392 CYS SG : rot -155:sc= -0.432 USER MOD Set 3.2: A 395 CYS SG : rot 137:sc= 0.528 USER MOD Set 3.3: A 408 HIS : no HE2:sc= -0.109 K(o=-0.57,f=-3) USER MOD Set 3.4: A 412 HIS : no HD1:sc= -0.559 K(o=-0.57,f=-9.9!) USER MOD Set 4.1: A 364 CYS SG : rot 100:sc= -0.209 USER MOD Set 4.2: A 367 CYS SG : rot -41:sc= 0.378 USER MOD Set 4.3: A 380 HIS : no HD1:sc= 0.0828 K(o=0.25,f=-2.3) 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= -0.0607 X(o=-0.061,f=-0.26) USER MOD Single : A 378 ASN : amide:sc= -0.0319 K(o=-0.032,f=-1.7!) 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 72:sc= 0.397 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 MET CE :methyl -146:sc= -1.65 (180deg=-2.27) 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+ 160:sc= 0.0101 (180deg=0) USER MOD Single : A 420 TYR OH : 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= 0.0565 USER MOD Single : A 434 HIS :FLIP no HD1:sc= -0.0264 F(o=-0.61,f=-0.026) USER MOD Single : A 436 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.011) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.240 -21.852 -19.456 1.00 0.00 N ATOM 67 CA VAL A 362 -11.109 -21.189 -18.817 1.00 0.00 C ATOM 68 C VAL A 362 -11.579 -20.176 -17.780 1.00 0.00 C ATOM 69 O VAL A 362 -12.571 -19.477 -17.986 1.00 0.00 O ATOM 70 CB VAL A 362 -10.220 -20.474 -19.852 1.00 0.00 C ATOM 71 CG1 VAL A 362 -11.018 -19.417 -20.601 1.00 0.00 C ATOM 72 CG2 VAL A 362 -9.006 -19.857 -19.175 1.00 0.00 C ATOM 0 HA VAL A 362 -10.525 -21.965 -18.322 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.869 -21.210 -20.575 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -10.374 -18.922 -21.328 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -11.853 -19.890 -21.118 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -11.400 -18.681 -19.894 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.389 -19.356 -19.921 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -9.334 -19.133 -18.430 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.424 -20.640 -18.689 1.00 0.00 H new ATOM 82 N ALA A 363 -10.860 -20.101 -16.665 1.00 0.00 N ATOM 83 CA ALA A 363 -11.202 -19.171 -15.596 1.00 0.00 C ATOM 84 C ALA A 363 -10.188 -18.035 -15.511 1.00 0.00 C ATOM 85 O ALA A 363 -8.979 -18.266 -15.525 1.00 0.00 O ATOM 86 CB ALA A 363 -11.289 -19.904 -14.266 1.00 0.00 C ATOM 0 H ALA A 363 -10.037 -20.673 -16.478 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.176 -18.737 -15.823 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.545 -19.197 -13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.057 -20.675 -14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.327 -20.366 -14.041 1.00 0.00 H new ATOM 92 N CYS A 364 -10.688 -16.807 -15.424 1.00 0.00 N ATOM 93 CA CYS A 364 -9.826 -15.634 -15.338 1.00 0.00 C ATOM 94 C CYS A 364 -9.111 -15.582 -13.990 1.00 0.00 C ATOM 95 O CYS A 364 -9.727 -15.779 -12.943 1.00 0.00 O ATOM 96 CB CYS A 364 -10.644 -14.358 -15.543 1.00 0.00 C ATOM 97 SG CYS A 364 -9.683 -12.956 -16.199 1.00 0.00 S ATOM 0 H CYS A 364 -11.686 -16.598 -15.411 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.076 -15.707 -16.125 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.466 -14.572 -16.226 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.088 -14.067 -14.591 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.888 -12.850 -17.478 1.00 0.00 H new ATOM 102 N GLU A 365 -7.809 -15.316 -14.027 1.00 0.00 N ATOM 103 CA GLU A 365 -7.012 -15.239 -12.809 1.00 0.00 C ATOM 104 C GLU A 365 -6.876 -13.794 -12.338 1.00 0.00 C ATOM 105 O GLU A 365 -5.908 -13.438 -11.665 1.00 0.00 O ATOM 106 CB GLU A 365 -5.625 -15.844 -13.042 1.00 0.00 C ATOM 107 CG GLU A 365 -4.730 -14.991 -13.925 1.00 0.00 C ATOM 108 CD GLU A 365 -4.212 -15.746 -15.133 1.00 0.00 C ATOM 109 OE1 GLU A 365 -4.994 -16.514 -15.732 1.00 0.00 O ATOM 110 OE2 GLU A 365 -3.025 -15.570 -15.480 1.00 0.00 O ATOM 0 H GLU A 365 -7.285 -15.150 -14.886 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.524 -15.809 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -5.136 -15.993 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.739 -16.828 -13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.285 -14.115 -14.260 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -3.886 -14.629 -13.338 1.00 0.00 H new ATOM 117 N ILE A 366 -7.851 -12.967 -12.698 1.00 0.00 N ATOM 118 CA ILE A 366 -7.842 -11.561 -12.312 1.00 0.00 C ATOM 119 C ILE A 366 -9.158 -11.163 -11.654 1.00 0.00 C ATOM 120 O ILE A 366 -9.177 -10.391 -10.694 1.00 0.00 O ATOM 121 CB ILE A 366 -7.589 -10.646 -13.524 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.275 -11.025 -14.211 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.565 -9.188 -13.092 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.460 -11.578 -15.607 1.00 0.00 C ATOM 0 H ILE A 366 -8.658 -13.246 -13.257 1.00 0.00 H new ATOM 0 HA ILE A 366 -7.029 -11.436 -11.597 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.402 -10.780 -14.237 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.633 -10.145 -14.260 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.756 -11.765 -13.602 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.385 -8.554 -13.960 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.523 -8.926 -12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.769 -9.038 -12.362 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.487 -11.825 -16.032 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.076 -12.476 -15.564 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -6.951 -10.832 -16.232 1.00 0.00 H new ATOM 136 N CYS A 367 -10.259 -11.695 -12.175 1.00 0.00 N ATOM 137 CA CYS A 367 -11.581 -11.396 -11.639 1.00 0.00 C ATOM 138 C CYS A 367 -12.289 -12.673 -11.196 1.00 0.00 C ATOM 139 O CYS A 367 -13.010 -12.683 -10.199 1.00 0.00 O ATOM 140 CB CYS A 367 -12.427 -10.668 -12.686 1.00 0.00 C ATOM 141 SG CYS A 367 -12.403 -11.446 -14.333 1.00 0.00 S ATOM 0 H CYS A 367 -10.261 -12.336 -12.969 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.456 -10.750 -10.770 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.458 -10.618 -12.334 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -12.071 -9.642 -12.776 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.194 -11.833 -14.612 1.00 0.00 H new ATOM 146 N GLY A 368 -12.078 -13.751 -11.946 1.00 0.00 N ATOM 147 CA GLY A 368 -12.702 -15.019 -11.615 1.00 0.00 C ATOM 148 C GLY A 368 -13.738 -15.440 -12.639 1.00 0.00 C ATOM 149 O GLY A 368 -14.122 -16.608 -12.701 1.00 0.00 O ATOM 0 H GLY A 368 -11.486 -13.769 -12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.935 -15.790 -11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -13.174 -14.944 -10.635 1.00 0.00 H new ATOM 153 N LYS A 369 -14.192 -14.486 -13.446 1.00 0.00 N ATOM 154 CA LYS A 369 -15.190 -14.763 -14.472 1.00 0.00 C ATOM 155 C LYS A 369 -14.762 -15.940 -15.343 1.00 0.00 C ATOM 156 O LYS A 369 -13.625 -15.997 -15.811 1.00 0.00 O ATOM 157 CB LYS A 369 -15.411 -13.525 -15.344 1.00 0.00 C ATOM 158 CG LYS A 369 -16.478 -12.586 -14.807 1.00 0.00 C ATOM 159 CD LYS A 369 -16.390 -11.214 -15.453 1.00 0.00 C ATOM 160 CE LYS A 369 -17.745 -10.751 -15.966 1.00 0.00 C ATOM 161 NZ LYS A 369 -17.989 -9.312 -15.670 1.00 0.00 N ATOM 0 H LYS A 369 -13.884 -13.514 -13.409 1.00 0.00 H new ATOM 0 HA LYS A 369 -16.125 -15.022 -13.974 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.471 -12.981 -15.433 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.691 -13.843 -16.348 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -17.464 -13.012 -14.990 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -16.368 -12.488 -13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -16.008 -10.494 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -15.678 -11.244 -16.278 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.801 -10.915 -17.042 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -18.531 -11.354 -15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -18.923 -9.036 -16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -17.961 -9.160 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -17.254 -8.734 -16.126 1.00 0.00 H new ATOM 175 N ILE A 370 -15.681 -16.876 -15.557 1.00 0.00 N ATOM 176 CA ILE A 370 -15.399 -18.050 -16.374 1.00 0.00 C ATOM 177 C ILE A 370 -15.750 -17.799 -17.836 1.00 0.00 C ATOM 178 O ILE A 370 -16.681 -17.055 -18.144 1.00 0.00 O ATOM 179 CB ILE A 370 -16.176 -19.283 -15.875 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.946 -19.486 -14.376 1.00 0.00 C ATOM 181 CG2 ILE A 370 -15.760 -20.522 -16.653 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.503 -19.769 -14.020 1.00 0.00 C ATOM 0 H ILE A 370 -16.627 -16.844 -15.176 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.330 -18.245 -16.288 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.240 -19.115 -16.040 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.276 -18.595 -13.842 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.566 -20.313 -14.030 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.318 -21.385 -16.289 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -15.971 -20.374 -17.712 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -14.693 -20.696 -16.516 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.414 -19.902 -12.942 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.175 -20.677 -14.526 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.880 -18.932 -14.335 1.00 0.00 H new ATOM 194 N PHE A 371 -14.999 -18.427 -18.735 1.00 0.00 N ATOM 195 CA PHE A 371 -15.230 -18.273 -20.167 1.00 0.00 C ATOM 196 C PHE A 371 -15.262 -19.631 -20.862 1.00 0.00 C ATOM 197 O PHE A 371 -14.323 -20.420 -20.749 1.00 0.00 O ATOM 198 CB PHE A 371 -14.144 -17.394 -20.789 1.00 0.00 C ATOM 199 CG PHE A 371 -14.090 -16.008 -20.212 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.505 -15.779 -18.977 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.625 -14.934 -20.905 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.456 -14.505 -18.444 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.578 -13.657 -20.377 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.991 -13.443 -19.145 1.00 0.00 C ATOM 0 H PHE A 371 -14.225 -19.047 -18.497 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.199 -17.792 -20.304 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.175 -17.874 -20.650 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.315 -17.325 -21.863 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.083 -16.605 -18.425 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.084 -15.096 -21.869 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -12.999 -14.340 -17.479 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.999 -12.828 -20.927 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.951 -12.446 -18.731 1.00 0.00 H new ATOM 214 N ARG A 372 -16.348 -19.896 -21.580 1.00 0.00 N ATOM 215 CA ARG A 372 -16.503 -21.159 -22.292 1.00 0.00 C ATOM 216 C ARG A 372 -15.427 -21.315 -23.362 1.00 0.00 C ATOM 217 O ARG A 372 -14.960 -22.422 -23.630 1.00 0.00 O ATOM 218 CB ARG A 372 -17.890 -21.240 -22.932 1.00 0.00 C ATOM 219 CG ARG A 372 -18.103 -20.238 -24.055 1.00 0.00 C ATOM 220 CD ARG A 372 -19.561 -19.820 -24.160 1.00 0.00 C ATOM 221 NE ARG A 372 -19.795 -18.500 -23.582 1.00 0.00 N ATOM 222 CZ ARG A 372 -20.993 -17.930 -23.512 1.00 0.00 C ATOM 223 NH1 ARG A 372 -22.060 -18.562 -23.982 1.00 0.00 N ATOM 224 NH2 ARG A 372 -21.126 -16.725 -22.971 1.00 0.00 N ATOM 0 H ARG A 372 -17.133 -19.254 -21.684 1.00 0.00 H new ATOM 0 HA ARG A 372 -16.395 -21.970 -21.572 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.043 -22.247 -23.321 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -18.645 -21.077 -22.163 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -17.483 -19.358 -23.882 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.780 -20.675 -25.000 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -19.862 -19.816 -25.208 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -20.186 -20.554 -23.652 1.00 0.00 H new ATOM 0 HE ARG A 372 -18.995 -17.987 -23.212 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -21.962 -19.488 -24.398 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -22.979 -18.122 -23.927 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -20.308 -16.236 -22.608 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -22.046 -16.289 -22.918 1.00 0.00 H new ATOM 238 N ASP A 373 -15.040 -20.200 -23.972 1.00 0.00 N ATOM 239 CA ASP A 373 -14.019 -20.213 -25.013 1.00 0.00 C ATOM 240 C ASP A 373 -12.840 -19.324 -24.629 1.00 0.00 C ATOM 241 O ASP A 373 -12.983 -18.395 -23.834 1.00 0.00 O ATOM 242 CB ASP A 373 -14.611 -19.749 -26.344 1.00 0.00 C ATOM 243 CG ASP A 373 -15.160 -20.899 -27.166 1.00 0.00 C ATOM 244 OD1 ASP A 373 -14.389 -21.486 -27.954 1.00 0.00 O ATOM 245 OD2 ASP A 373 -16.360 -21.212 -27.021 1.00 0.00 O ATOM 0 H ASP A 373 -15.418 -19.276 -23.764 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.659 -21.236 -25.122 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.408 -19.030 -26.153 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.844 -19.230 -26.918 1.00 0.00 H new ATOM 250 N VAL A 374 -11.675 -19.616 -25.198 1.00 0.00 N ATOM 251 CA VAL A 374 -10.471 -18.843 -24.916 1.00 0.00 C ATOM 252 C VAL A 374 -10.436 -17.561 -25.739 1.00 0.00 C ATOM 253 O VAL A 374 -9.829 -16.568 -25.336 1.00 0.00 O ATOM 254 CB VAL A 374 -9.199 -19.661 -25.205 1.00 0.00 C ATOM 255 CG1 VAL A 374 -7.963 -18.914 -24.726 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.288 -21.033 -24.553 1.00 0.00 C ATOM 0 H VAL A 374 -11.539 -20.382 -25.857 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.498 -18.590 -23.856 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.115 -19.801 -26.283 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.074 -19.508 -24.939 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.893 -17.957 -25.243 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.036 -18.741 -23.652 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.381 -21.597 -24.768 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.397 -20.917 -23.475 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.151 -21.569 -24.949 1.00 0.00 H new ATOM 266 N TYR A 375 -11.090 -17.588 -26.895 1.00 0.00 N ATOM 267 CA TYR A 375 -11.132 -16.428 -27.778 1.00 0.00 C ATOM 268 C TYR A 375 -11.835 -15.255 -27.102 1.00 0.00 C ATOM 269 O TYR A 375 -11.375 -14.115 -27.173 1.00 0.00 O ATOM 270 CB TYR A 375 -11.844 -16.781 -29.085 1.00 0.00 C ATOM 271 CG TYR A 375 -11.390 -18.091 -29.687 1.00 0.00 C ATOM 272 CD1 TYR A 375 -10.043 -18.429 -29.730 1.00 0.00 C ATOM 273 CD2 TYR A 375 -12.308 -18.991 -30.214 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.623 -19.625 -30.280 1.00 0.00 C ATOM 275 CE2 TYR A 375 -11.897 -20.190 -30.765 1.00 0.00 C ATOM 276 CZ TYR A 375 -10.554 -20.502 -30.796 1.00 0.00 C ATOM 277 OH TYR A 375 -10.141 -21.694 -31.345 1.00 0.00 O ATOM 0 H TYR A 375 -11.599 -18.401 -27.243 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.106 -16.134 -28.000 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.918 -16.827 -28.903 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -11.677 -15.982 -29.807 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -9.311 -17.745 -29.326 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -13.360 -18.750 -30.193 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.572 -19.872 -30.306 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -12.624 -20.879 -31.169 1.00 0.00 H new ATOM 0 HH TYR A 375 -10.921 -22.196 -31.662 1.00 0.00 H new ATOM 287 N HIS A 376 -12.955 -15.543 -26.446 1.00 0.00 N ATOM 288 CA HIS A 376 -13.723 -14.513 -25.756 1.00 0.00 C ATOM 289 C HIS A 376 -12.934 -13.942 -24.582 1.00 0.00 C ATOM 290 O HIS A 376 -13.038 -12.755 -24.269 1.00 0.00 O ATOM 291 CB HIS A 376 -15.053 -15.084 -25.263 1.00 0.00 C ATOM 292 CG HIS A 376 -16.243 -14.271 -25.672 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.454 -13.845 -26.966 1.00 0.00 N ATOM 294 CD2 HIS A 376 -17.289 -13.807 -24.949 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.578 -13.153 -27.021 1.00 0.00 C ATOM 296 NE2 HIS A 376 -18.104 -13.115 -25.811 1.00 0.00 N ATOM 0 H HIS A 376 -13.351 -16.481 -26.378 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.922 -13.707 -26.463 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.168 -16.098 -25.646 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -15.028 -15.154 -24.176 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -17.452 -13.954 -23.892 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.996 -12.696 -27.906 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.974 -12.648 -25.557 1.00 0.00 H new ATOM 304 N LEU A 377 -12.146 -14.793 -23.935 1.00 0.00 N ATOM 305 CA LEU A 377 -11.340 -14.374 -22.794 1.00 0.00 C ATOM 306 C LEU A 377 -10.263 -13.383 -23.224 1.00 0.00 C ATOM 307 O LEU A 377 -9.866 -12.510 -22.454 1.00 0.00 O ATOM 308 CB LEU A 377 -10.694 -15.589 -22.127 1.00 0.00 C ATOM 309 CG LEU A 377 -9.732 -15.290 -20.976 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.489 -14.754 -19.772 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.945 -16.538 -20.602 1.00 0.00 C ATOM 0 H LEU A 377 -12.048 -15.778 -24.181 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.997 -13.881 -22.077 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.486 -16.237 -21.753 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.154 -16.152 -22.888 1.00 0.00 H new ATOM 0 HG LEU A 377 -9.028 -14.525 -21.305 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.788 -14.547 -18.964 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -11.007 -13.835 -20.047 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.217 -15.495 -19.440 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.265 -16.307 -19.782 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.634 -17.324 -20.292 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.371 -16.878 -21.464 1.00 0.00 H new ATOM 323 N ASN A 378 -9.795 -13.524 -24.460 1.00 0.00 N ATOM 324 CA ASN A 378 -8.765 -12.640 -24.993 1.00 0.00 C ATOM 325 C ASN A 378 -9.215 -11.183 -24.935 1.00 0.00 C ATOM 326 O ASN A 378 -8.549 -10.341 -24.332 1.00 0.00 O ATOM 327 CB ASN A 378 -8.430 -13.025 -26.436 1.00 0.00 C ATOM 328 CG ASN A 378 -7.115 -12.431 -26.902 1.00 0.00 C ATOM 329 OD1 ASN A 378 -6.299 -11.990 -26.093 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.904 -12.417 -28.213 1.00 0.00 N ATOM 0 H ASN A 378 -10.113 -14.242 -25.111 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.872 -12.751 -24.378 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.384 -14.111 -26.518 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -9.231 -12.689 -27.094 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -6.037 -12.030 -28.586 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -7.609 -12.794 -28.847 1.00 0.00 H new ATOM 337 N ARG A 379 -10.349 -10.894 -25.565 1.00 0.00 N ATOM 338 CA ARG A 379 -10.888 -9.540 -25.586 1.00 0.00 C ATOM 339 C ARG A 379 -11.107 -9.020 -24.168 1.00 0.00 C ATOM 340 O ARG A 379 -11.009 -7.819 -23.914 1.00 0.00 O ATOM 341 CB ARG A 379 -12.205 -9.504 -26.363 1.00 0.00 C ATOM 342 CG ARG A 379 -12.136 -10.203 -27.711 1.00 0.00 C ATOM 343 CD ARG A 379 -13.108 -9.590 -28.707 1.00 0.00 C ATOM 344 NE ARG A 379 -12.621 -9.690 -30.080 1.00 0.00 N ATOM 345 CZ ARG A 379 -13.316 -9.288 -31.138 1.00 0.00 C ATOM 346 NH1 ARG A 379 -14.523 -8.761 -30.981 1.00 0.00 N ATOM 347 NH2 ARG A 379 -12.805 -9.411 -32.356 1.00 0.00 N ATOM 0 H ARG A 379 -10.912 -11.580 -26.068 1.00 0.00 H new ATOM 0 HA ARG A 379 -10.163 -8.895 -26.083 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.985 -9.970 -25.761 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -12.498 -8.465 -26.516 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -11.121 -10.138 -28.104 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.362 -11.262 -27.585 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -14.073 -10.091 -28.627 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -13.271 -8.542 -28.456 1.00 0.00 H new ATOM 0 HE ARG A 379 -11.696 -10.091 -30.235 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -14.919 -8.664 -30.046 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -15.055 -8.453 -31.795 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -11.877 -9.815 -32.481 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -13.340 -9.102 -33.167 1.00 0.00 H new ATOM 361 N HIS A 380 -11.405 -9.933 -23.248 1.00 0.00 N ATOM 362 CA HIS A 380 -11.638 -9.567 -21.856 1.00 0.00 C ATOM 363 C HIS A 380 -10.344 -9.109 -21.190 1.00 0.00 C ATOM 364 O HIS A 380 -10.264 -8.002 -20.658 1.00 0.00 O ATOM 365 CB HIS A 380 -12.230 -10.749 -21.088 1.00 0.00 C ATOM 366 CG HIS A 380 -12.328 -10.516 -19.612 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.447 -9.986 -19.006 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.437 -10.746 -18.619 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.241 -9.898 -17.704 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.029 -10.353 -17.443 1.00 0.00 N ATOM 0 H HIS A 380 -11.491 -10.931 -23.442 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.347 -8.740 -21.838 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.224 -10.965 -21.480 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.617 -11.632 -21.268 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.446 -11.161 -18.730 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.944 -9.519 -16.977 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -11.602 -10.404 -16.518 1.00 0.00 H new ATOM 378 N LYS A 381 -9.331 -9.969 -21.223 1.00 0.00 N ATOM 379 CA LYS A 381 -8.040 -9.655 -20.624 1.00 0.00 C ATOM 380 C LYS A 381 -7.521 -8.311 -21.124 1.00 0.00 C ATOM 381 O LYS A 381 -6.845 -7.584 -20.394 1.00 0.00 O ATOM 382 CB LYS A 381 -7.025 -10.756 -20.941 1.00 0.00 C ATOM 383 CG LYS A 381 -7.375 -12.101 -20.328 1.00 0.00 C ATOM 384 CD LYS A 381 -6.523 -13.217 -20.908 1.00 0.00 C ATOM 385 CE LYS A 381 -6.312 -14.338 -19.902 1.00 0.00 C ATOM 386 NZ LYS A 381 -5.268 -13.992 -18.897 1.00 0.00 N ATOM 0 H LYS A 381 -9.380 -10.890 -21.659 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.174 -9.594 -19.544 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.949 -10.868 -22.023 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -6.043 -10.447 -20.583 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -7.233 -12.058 -19.248 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.429 -12.318 -20.503 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.003 -13.615 -21.802 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.557 -12.816 -21.216 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -7.252 -14.550 -19.392 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.023 -15.248 -20.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -5.154 -14.781 -18.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.365 -13.815 -19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -5.556 -13.138 -18.378 1.00 0.00 H new ATOM 400 N LEU A 382 -7.841 -7.985 -22.371 1.00 0.00 N ATOM 401 CA LEU A 382 -7.409 -6.727 -22.969 1.00 0.00 C ATOM 402 C LEU A 382 -7.889 -5.538 -22.143 1.00 0.00 C ATOM 403 O LEU A 382 -7.218 -4.509 -22.070 1.00 0.00 O ATOM 404 CB LEU A 382 -7.934 -6.612 -24.401 1.00 0.00 C ATOM 405 CG LEU A 382 -7.035 -7.192 -25.494 1.00 0.00 C ATOM 406 CD1 LEU A 382 -7.850 -7.526 -26.734 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.915 -6.220 -25.835 1.00 0.00 C ATOM 0 H LEU A 382 -8.399 -8.575 -22.988 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.319 -6.718 -22.987 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.902 -7.110 -24.453 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -8.105 -5.558 -24.620 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.588 -8.113 -25.119 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -7.194 -7.937 -27.501 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -8.615 -8.259 -26.480 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -8.326 -6.621 -27.111 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -5.285 -6.649 -26.614 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -6.343 -5.282 -26.190 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -5.314 -6.031 -24.946 1.00 0.00 H new ATOM 480 N LYS A 388 -0.982 1.905 -18.352 1.00 0.00 N ATOM 481 CA LYS A 388 0.388 1.970 -17.857 1.00 0.00 C ATOM 482 C LYS A 388 1.305 2.633 -18.880 1.00 0.00 C ATOM 483 O LYS A 388 1.000 2.700 -20.071 1.00 0.00 O ATOM 484 CB LYS A 388 0.902 0.566 -17.530 1.00 0.00 C ATOM 485 CG LYS A 388 0.353 -0.512 -18.449 1.00 0.00 C ATOM 486 CD LYS A 388 1.059 -1.840 -18.236 1.00 0.00 C ATOM 487 CE LYS A 388 0.353 -2.684 -17.186 1.00 0.00 C ATOM 488 NZ LYS A 388 1.193 -2.875 -15.971 1.00 0.00 N ATOM 0 HA LYS A 388 0.391 2.572 -16.948 1.00 0.00 H new ATOM 0 HB2 LYS A 388 1.990 0.563 -17.590 1.00 0.00 H new ATOM 0 HB3 LYS A 388 0.639 0.323 -16.501 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -0.715 -0.634 -18.270 1.00 0.00 H new ATOM 0 HG3 LYS A 388 0.469 -0.200 -19.487 1.00 0.00 H new ATOM 0 HD2 LYS A 388 1.099 -2.387 -19.178 1.00 0.00 H new ATOM 0 HD3 LYS A 388 2.089 -1.660 -17.928 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -0.586 -2.206 -16.907 1.00 0.00 H new ATOM 0 HE3 LYS A 388 0.102 -3.656 -17.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 0.676 -3.455 -15.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 2.078 -3.354 -16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 1.412 -1.949 -15.551 1.00 0.00 H new ATOM 502 N PRO A 389 2.457 3.133 -18.408 1.00 0.00 N ATOM 503 CA PRO A 389 2.830 3.058 -16.992 1.00 0.00 C ATOM 504 C PRO A 389 1.966 3.960 -16.117 1.00 0.00 C ATOM 505 O PRO A 389 1.537 3.562 -15.033 1.00 0.00 O ATOM 506 CB PRO A 389 4.284 3.538 -16.983 1.00 0.00 C ATOM 507 CG PRO A 389 4.405 4.403 -18.190 1.00 0.00 C ATOM 508 CD PRO A 389 3.483 3.809 -19.219 1.00 0.00 C ATOM 0 HA PRO A 389 2.695 2.055 -16.587 1.00 0.00 H new ATOM 0 HB2 PRO A 389 4.512 4.094 -16.073 1.00 0.00 H new ATOM 0 HB3 PRO A 389 4.978 2.699 -17.026 1.00 0.00 H new ATOM 0 HG2 PRO A 389 4.125 5.432 -17.963 1.00 0.00 H new ATOM 0 HG3 PRO A 389 5.433 4.425 -18.553 1.00 0.00 H new ATOM 0 HD2 PRO A 389 3.048 4.576 -19.859 1.00 0.00 H new ATOM 0 HD3 PRO A 389 4.006 3.109 -19.871 1.00 0.00 H new ATOM 516 N TYR A 390 1.715 5.174 -16.593 1.00 0.00 N ATOM 517 CA TYR A 390 0.903 6.132 -15.852 1.00 0.00 C ATOM 518 C TYR A 390 -0.315 6.558 -16.666 1.00 0.00 C ATOM 519 O TYR A 390 -0.220 7.414 -17.545 1.00 0.00 O ATOM 520 CB TYR A 390 1.737 7.360 -15.481 1.00 0.00 C ATOM 521 CG TYR A 390 3.101 7.019 -14.923 1.00 0.00 C ATOM 522 CD1 TYR A 390 3.263 6.689 -13.583 1.00 0.00 C ATOM 523 CD2 TYR A 390 4.227 7.027 -15.737 1.00 0.00 C ATOM 524 CE1 TYR A 390 4.507 6.378 -13.070 1.00 0.00 C ATOM 525 CE2 TYR A 390 5.475 6.716 -15.232 1.00 0.00 C ATOM 526 CZ TYR A 390 5.610 6.393 -13.898 1.00 0.00 C ATOM 527 OH TYR A 390 6.850 6.082 -13.390 1.00 0.00 O ATOM 0 H TYR A 390 2.062 5.518 -17.488 1.00 0.00 H new ATOM 0 HA TYR A 390 0.556 5.647 -14.939 1.00 0.00 H new ATOM 0 HB2 TYR A 390 1.861 7.985 -16.365 1.00 0.00 H new ATOM 0 HB3 TYR A 390 1.191 7.952 -14.746 1.00 0.00 H new ATOM 0 HD1 TYR A 390 2.402 6.675 -12.932 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.125 7.281 -16.782 1.00 0.00 H new ATOM 0 HE1 TYR A 390 4.616 6.124 -12.026 1.00 0.00 H new ATOM 0 HE2 TYR A 390 6.340 6.726 -15.878 1.00 0.00 H new ATOM 0 HH TYR A 390 7.519 6.138 -14.104 1.00 0.00 H new ATOM 537 N SER A 391 -1.460 5.954 -16.365 1.00 0.00 N ATOM 538 CA SER A 391 -2.698 6.267 -17.069 1.00 0.00 C ATOM 539 C SER A 391 -3.714 6.903 -16.125 1.00 0.00 C ATOM 540 O SER A 391 -3.671 6.691 -14.913 1.00 0.00 O ATOM 541 CB SER A 391 -3.288 5.002 -17.695 1.00 0.00 C ATOM 542 OG SER A 391 -4.704 5.048 -17.699 1.00 0.00 O ATOM 0 H SER A 391 -1.556 5.245 -15.638 1.00 0.00 H new ATOM 0 HA SER A 391 -2.467 6.981 -17.860 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.922 4.893 -18.716 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.951 4.127 -17.140 1.00 0.00 H new ATOM 0 HG SER A 391 -5.008 5.701 -18.363 1.00 0.00 H new ATOM 548 N CYS A 392 -4.629 7.684 -16.690 1.00 0.00 N ATOM 549 CA CYS A 392 -5.657 8.353 -15.902 1.00 0.00 C ATOM 550 C CYS A 392 -6.822 7.409 -15.615 1.00 0.00 C ATOM 551 O CYS A 392 -7.367 6.766 -16.512 1.00 0.00 O ATOM 552 CB CYS A 392 -6.162 9.597 -16.634 1.00 0.00 C ATOM 553 SG CYS A 392 -7.228 10.674 -15.623 1.00 0.00 S ATOM 0 H CYS A 392 -4.679 7.869 -17.692 1.00 0.00 H new ATOM 0 HA CYS A 392 -5.214 8.654 -14.953 1.00 0.00 H new ATOM 0 HB2 CYS A 392 -5.305 10.174 -16.981 1.00 0.00 H new ATOM 0 HB3 CYS A 392 -6.715 9.285 -17.520 1.00 0.00 H new ATOM 0 HG CYS A 392 -8.006 11.367 -16.400 1.00 0.00 H new ATOM 558 N PRO A 393 -7.213 7.324 -14.335 1.00 0.00 N ATOM 559 CA PRO A 393 -8.316 6.463 -13.900 1.00 0.00 C ATOM 560 C PRO A 393 -9.671 6.970 -14.383 1.00 0.00 C ATOM 561 O PRO A 393 -10.600 6.188 -14.590 1.00 0.00 O ATOM 562 CB PRO A 393 -8.235 6.526 -12.373 1.00 0.00 C ATOM 563 CG PRO A 393 -7.570 7.827 -12.082 1.00 0.00 C ATOM 564 CD PRO A 393 -6.607 8.062 -13.214 1.00 0.00 C ATOM 0 HA PRO A 393 -8.229 5.454 -14.303 1.00 0.00 H new ATOM 0 HB2 PRO A 393 -9.226 6.478 -11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 393 -7.662 5.690 -11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 393 -8.301 8.633 -12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 393 -7.048 7.793 -11.126 1.00 0.00 H new ATOM 0 HD2 PRO A 393 -6.504 9.123 -13.440 1.00 0.00 H new ATOM 0 HD3 PRO A 393 -5.611 7.688 -12.978 1.00 0.00 H new ATOM 572 N VAL A 394 -9.778 8.283 -14.560 1.00 0.00 N ATOM 573 CA VAL A 394 -11.019 8.894 -15.020 1.00 0.00 C ATOM 574 C VAL A 394 -11.118 8.861 -16.541 1.00 0.00 C ATOM 575 O VAL A 394 -11.895 8.093 -17.107 1.00 0.00 O ATOM 576 CB VAL A 394 -11.139 10.353 -14.540 1.00 0.00 C ATOM 577 CG1 VAL A 394 -12.422 10.983 -15.058 1.00 0.00 C ATOM 578 CG2 VAL A 394 -11.078 10.420 -13.021 1.00 0.00 C ATOM 0 H VAL A 394 -9.020 8.944 -14.392 1.00 0.00 H new ATOM 0 HA VAL A 394 -11.835 8.311 -14.593 1.00 0.00 H new ATOM 0 HB VAL A 394 -10.298 10.919 -14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 394 -12.488 12.013 -14.708 1.00 0.00 H new ATOM 0 HG12 VAL A 394 -12.420 10.969 -16.148 1.00 0.00 H new ATOM 0 HG13 VAL A 394 -13.279 10.419 -14.690 1.00 0.00 H new ATOM 0 HG21 VAL A 394 -11.164 11.458 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 394 -11.898 9.839 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 394 -10.128 10.011 -12.677 1.00 0.00 H new ATOM 588 N CYS A 395 -10.324 9.701 -17.197 1.00 0.00 N ATOM 589 CA CYS A 395 -10.320 9.769 -18.654 1.00 0.00 C ATOM 590 C CYS A 395 -10.021 8.402 -19.262 1.00 0.00 C ATOM 591 O CYS A 395 -10.882 7.789 -19.891 1.00 0.00 O ATOM 592 CB CYS A 395 -9.287 10.791 -19.134 1.00 0.00 C ATOM 593 SG CYS A 395 -9.463 12.438 -18.377 1.00 0.00 S ATOM 0 H CYS A 395 -9.675 10.344 -16.743 1.00 0.00 H new ATOM 0 HA CYS A 395 -11.311 10.083 -18.981 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -8.288 10.410 -18.921 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -9.366 10.890 -20.217 1.00 0.00 H new ATOM 0 HG CYS A 395 -8.291 12.890 -18.044 1.00 0.00 H new ATOM 598 N GLY A 396 -8.793 7.930 -19.068 1.00 0.00 N ATOM 599 CA GLY A 396 -8.401 6.639 -19.603 1.00 0.00 C ATOM 600 C GLY A 396 -7.241 6.741 -20.573 1.00 0.00 C ATOM 601 O GLY A 396 -7.007 5.832 -21.371 1.00 0.00 O ATOM 0 H GLY A 396 -8.063 8.419 -18.550 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -8.127 5.977 -18.782 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -9.254 6.184 -20.108 1.00 0.00 H new ATOM 605 N LEU A 397 -6.512 7.850 -20.506 1.00 0.00 N ATOM 606 CA LEU A 397 -5.370 8.069 -21.387 1.00 0.00 C ATOM 607 C LEU A 397 -4.114 7.413 -20.823 1.00 0.00 C ATOM 608 O LEU A 397 -4.103 6.948 -19.683 1.00 0.00 O ATOM 609 CB LEU A 397 -5.132 9.567 -21.583 1.00 0.00 C ATOM 610 CG LEU A 397 -5.821 10.204 -22.791 1.00 0.00 C ATOM 611 CD1 LEU A 397 -6.965 11.101 -22.342 1.00 0.00 C ATOM 612 CD2 LEU A 397 -4.820 10.991 -23.623 1.00 0.00 C ATOM 0 H LEU A 397 -6.691 8.611 -19.851 1.00 0.00 H new ATOM 0 HA LEU A 397 -5.594 7.614 -22.352 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -5.463 10.088 -20.685 1.00 0.00 H new ATOM 0 HB3 LEU A 397 -4.059 9.735 -21.672 1.00 0.00 H new ATOM 0 HG LEU A 397 -6.232 9.408 -23.411 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -7.443 11.545 -23.215 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -7.696 10.510 -21.790 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -6.577 11.891 -21.699 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -5.328 11.437 -24.478 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -4.378 11.778 -23.012 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -4.035 10.322 -23.976 1.00 0.00 H new ATOM 624 N ARG A 398 -3.057 7.380 -21.628 1.00 0.00 N ATOM 625 CA ARG A 398 -1.796 6.782 -21.209 1.00 0.00 C ATOM 626 C ARG A 398 -0.660 7.797 -21.287 1.00 0.00 C ATOM 627 O ARG A 398 -0.519 8.512 -22.280 1.00 0.00 O ATOM 628 CB ARG A 398 -1.469 5.567 -22.079 1.00 0.00 C ATOM 629 CG ARG A 398 -2.400 4.387 -21.853 1.00 0.00 C ATOM 630 CD ARG A 398 -3.255 4.108 -23.079 1.00 0.00 C ATOM 631 NE ARG A 398 -4.433 3.309 -22.755 1.00 0.00 N ATOM 632 CZ ARG A 398 -5.195 2.718 -23.669 1.00 0.00 C ATOM 633 NH1 ARG A 398 -4.903 2.837 -24.957 1.00 0.00 N ATOM 634 NH2 ARG A 398 -6.251 2.007 -23.295 1.00 0.00 N ATOM 0 H ARG A 398 -3.049 7.761 -22.574 1.00 0.00 H new ATOM 0 HA ARG A 398 -1.902 6.461 -20.173 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -1.515 5.859 -23.128 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -0.444 5.254 -21.880 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -1.814 3.501 -21.608 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -3.044 4.589 -20.997 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -3.569 5.052 -23.524 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -2.657 3.586 -23.826 1.00 0.00 H new ATOM 0 HE ARG A 398 -4.685 3.198 -21.773 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -4.092 3.383 -25.248 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -5.489 2.382 -25.657 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -6.478 1.914 -22.305 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -6.835 1.554 -23.997 1.00 0.00 H new ATOM 648 N PHE A 399 0.148 7.856 -20.234 1.00 0.00 N ATOM 649 CA PHE A 399 1.271 8.785 -20.183 1.00 0.00 C ATOM 650 C PHE A 399 2.561 8.059 -19.813 1.00 0.00 C ATOM 651 O PHE A 399 2.568 7.179 -18.953 1.00 0.00 O ATOM 652 CB PHE A 399 0.993 9.900 -19.172 1.00 0.00 C ATOM 653 CG PHE A 399 -0.312 10.607 -19.404 1.00 0.00 C ATOM 654 CD1 PHE A 399 -1.489 10.112 -18.865 1.00 0.00 C ATOM 655 CD2 PHE A 399 -0.362 11.765 -20.162 1.00 0.00 C ATOM 656 CE1 PHE A 399 -2.691 10.761 -19.076 1.00 0.00 C ATOM 657 CE2 PHE A 399 -1.561 12.418 -20.376 1.00 0.00 C ATOM 658 CZ PHE A 399 -2.727 11.915 -19.834 1.00 0.00 C ATOM 0 H PHE A 399 0.046 7.272 -19.404 1.00 0.00 H new ATOM 0 HA PHE A 399 1.392 9.224 -21.173 1.00 0.00 H new ATOM 0 HB2 PHE A 399 0.995 9.477 -18.167 1.00 0.00 H new ATOM 0 HB3 PHE A 399 1.804 10.627 -19.213 1.00 0.00 H new ATOM 0 HD1 PHE A 399 -1.467 9.209 -18.273 1.00 0.00 H new ATOM 0 HD2 PHE A 399 0.546 12.162 -20.591 1.00 0.00 H new ATOM 0 HE1 PHE A 399 -3.601 10.366 -18.649 1.00 0.00 H new ATOM 0 HE2 PHE A 399 -1.586 13.322 -20.967 1.00 0.00 H new ATOM 0 HZ PHE A 399 -3.665 12.423 -20.002 1.00 0.00 H new ATOM 668 N LYS A 400 3.653 8.434 -20.471 1.00 0.00 N ATOM 669 CA LYS A 400 4.951 7.821 -20.213 1.00 0.00 C ATOM 670 C LYS A 400 5.806 8.713 -19.318 1.00 0.00 C ATOM 671 O LYS A 400 7.035 8.658 -19.364 1.00 0.00 O ATOM 672 CB LYS A 400 5.682 7.551 -21.530 1.00 0.00 C ATOM 673 CG LYS A 400 6.278 6.158 -21.621 1.00 0.00 C ATOM 674 CD LYS A 400 5.647 5.353 -22.745 1.00 0.00 C ATOM 675 CE LYS A 400 6.469 5.439 -24.022 1.00 0.00 C ATOM 676 NZ LYS A 400 5.610 5.403 -25.238 1.00 0.00 N ATOM 0 H LYS A 400 3.665 9.160 -21.187 1.00 0.00 H new ATOM 0 HA LYS A 400 4.782 6.875 -19.698 1.00 0.00 H new ATOM 0 HB2 LYS A 400 4.987 7.694 -22.357 1.00 0.00 H new ATOM 0 HB3 LYS A 400 6.478 8.286 -21.651 1.00 0.00 H new ATOM 0 HG2 LYS A 400 7.353 6.231 -21.784 1.00 0.00 H new ATOM 0 HG3 LYS A 400 6.134 5.637 -20.674 1.00 0.00 H new ATOM 0 HD2 LYS A 400 5.555 4.311 -22.440 1.00 0.00 H new ATOM 0 HD3 LYS A 400 4.638 5.720 -22.935 1.00 0.00 H new ATOM 0 HE2 LYS A 400 7.053 6.360 -24.017 1.00 0.00 H new ATOM 0 HE3 LYS A 400 7.178 4.612 -24.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 6.208 5.464 -26.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 5.072 4.513 -25.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 4.950 6.207 -25.221 1.00 0.00 H new ATOM 690 N ARG A 401 5.148 9.532 -18.505 1.00 0.00 N ATOM 691 CA ARG A 401 5.848 10.435 -17.600 1.00 0.00 C ATOM 692 C ARG A 401 5.000 10.736 -16.368 1.00 0.00 C ATOM 693 O ARG A 401 3.770 10.714 -16.427 1.00 0.00 O ATOM 694 CB ARG A 401 6.204 11.738 -18.319 1.00 0.00 C ATOM 695 CG ARG A 401 5.076 12.286 -19.178 1.00 0.00 C ATOM 696 CD ARG A 401 5.283 11.953 -20.647 1.00 0.00 C ATOM 697 NE ARG A 401 5.323 13.153 -21.480 1.00 0.00 N ATOM 698 CZ ARG A 401 6.396 13.927 -21.601 1.00 0.00 C ATOM 699 NH1 ARG A 401 7.510 13.630 -20.947 1.00 0.00 N ATOM 700 NH2 ARG A 401 6.354 15.002 -22.378 1.00 0.00 N ATOM 0 H ARG A 401 4.131 9.589 -18.454 1.00 0.00 H new ATOM 0 HA ARG A 401 6.766 9.944 -17.276 1.00 0.00 H new ATOM 0 HB2 ARG A 401 6.483 12.488 -17.578 1.00 0.00 H new ATOM 0 HB3 ARG A 401 7.079 11.570 -18.947 1.00 0.00 H new ATOM 0 HG2 ARG A 401 4.126 11.872 -18.840 1.00 0.00 H new ATOM 0 HG3 ARG A 401 5.015 13.367 -19.054 1.00 0.00 H new ATOM 0 HD2 ARG A 401 6.214 11.398 -20.765 1.00 0.00 H new ATOM 0 HD3 ARG A 401 4.478 11.302 -20.988 1.00 0.00 H new ATOM 0 HE ARG A 401 4.482 13.410 -21.996 1.00 0.00 H new ATOM 0 HH11 ARG A 401 7.545 12.805 -20.348 1.00 0.00 H new ATOM 0 HH12 ARG A 401 8.332 14.227 -21.042 1.00 0.00 H new ATOM 0 HH21 ARG A 401 5.498 15.234 -22.882 1.00 0.00 H new ATOM 0 HH22 ARG A 401 7.178 15.596 -22.471 1.00 0.00 H new ATOM 714 N LYS A 402 5.664 11.018 -15.252 1.00 0.00 N ATOM 715 CA LYS A 402 4.973 11.325 -14.006 1.00 0.00 C ATOM 716 C LYS A 402 4.691 12.820 -13.894 1.00 0.00 C ATOM 717 O LYS A 402 3.865 13.246 -13.086 1.00 0.00 O ATOM 718 CB LYS A 402 5.806 10.861 -12.809 1.00 0.00 C ATOM 719 CG LYS A 402 4.979 10.566 -11.570 1.00 0.00 C ATOM 720 CD LYS A 402 5.570 9.421 -10.765 1.00 0.00 C ATOM 721 CE LYS A 402 4.493 8.455 -10.295 1.00 0.00 C ATOM 722 NZ LYS A 402 5.065 7.326 -9.510 1.00 0.00 N ATOM 0 H LYS A 402 6.682 11.040 -15.185 1.00 0.00 H new ATOM 0 HA LYS A 402 4.022 10.793 -14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 402 6.360 9.964 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 402 6.542 11.629 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 402 4.923 11.459 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 402 3.959 10.318 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 402 6.300 8.886 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 402 6.104 9.819 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 402 3.766 8.991 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 402 3.956 8.062 -11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 4.299 6.690 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 5.740 6.799 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 5.556 7.699 -8.672 1.00 0.00 H new ATOM 736 N ASP A 403 5.380 13.610 -14.710 1.00 0.00 N ATOM 737 CA ASP A 403 5.201 15.057 -14.704 1.00 0.00 C ATOM 738 C ASP A 403 3.911 15.448 -15.417 1.00 0.00 C ATOM 739 O ASP A 403 3.347 16.513 -15.162 1.00 0.00 O ATOM 740 CB ASP A 403 6.395 15.743 -15.371 1.00 0.00 C ATOM 741 CG ASP A 403 6.786 17.031 -14.674 1.00 0.00 C ATOM 742 OD1 ASP A 403 5.940 17.594 -13.948 1.00 0.00 O ATOM 743 OD2 ASP A 403 7.938 17.477 -14.856 1.00 0.00 O ATOM 0 H ASP A 403 6.067 13.273 -15.384 1.00 0.00 H new ATOM 0 HA ASP A 403 5.136 15.386 -13.667 1.00 0.00 H new ATOM 0 HB2 ASP A 403 7.246 15.062 -15.374 1.00 0.00 H new ATOM 0 HB3 ASP A 403 6.153 15.956 -16.412 1.00 0.00 H new ATOM 748 N ARG A 404 3.448 14.581 -16.311 1.00 0.00 N ATOM 749 CA ARG A 404 2.226 14.837 -17.063 1.00 0.00 C ATOM 750 C ARG A 404 1.010 14.279 -16.329 1.00 0.00 C ATOM 751 O ARG A 404 0.088 15.018 -15.983 1.00 0.00 O ATOM 752 CB ARG A 404 2.321 14.218 -18.459 1.00 0.00 C ATOM 753 CG ARG A 404 3.111 15.061 -19.446 1.00 0.00 C ATOM 754 CD ARG A 404 2.204 15.993 -20.234 1.00 0.00 C ATOM 755 NE ARG A 404 2.639 16.137 -21.621 1.00 0.00 N ATOM 756 CZ ARG A 404 2.269 17.143 -22.406 1.00 0.00 C ATOM 757 NH1 ARG A 404 1.461 18.087 -21.944 1.00 0.00 N ATOM 758 NH2 ARG A 404 2.707 17.205 -23.657 1.00 0.00 N ATOM 0 H ARG A 404 3.901 13.694 -16.532 1.00 0.00 H new ATOM 0 HA ARG A 404 2.108 15.916 -17.159 1.00 0.00 H new ATOM 0 HB2 ARG A 404 2.785 13.235 -18.381 1.00 0.00 H new ATOM 0 HB3 ARG A 404 1.315 14.065 -18.849 1.00 0.00 H new ATOM 0 HG2 ARG A 404 3.858 15.646 -18.910 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.650 14.409 -20.133 1.00 0.00 H new ATOM 0 HD2 ARG A 404 1.184 15.610 -20.212 1.00 0.00 H new ATOM 0 HD3 ARG A 404 2.187 16.972 -19.756 1.00 0.00 H new ATOM 0 HE ARG A 404 3.261 15.427 -22.008 1.00 0.00 H new ATOM 0 HH11 ARG A 404 1.121 18.042 -20.983 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.179 18.858 -22.549 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.328 16.480 -24.016 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.423 17.978 -24.259 1.00 0.00 H new ATOM 772 N MET A 405 1.015 12.970 -16.096 1.00 0.00 N ATOM 773 CA MET A 405 -0.088 12.314 -15.403 1.00 0.00 C ATOM 774 C MET A 405 -0.405 13.024 -14.091 1.00 0.00 C ATOM 775 O MET A 405 -1.557 13.068 -13.660 1.00 0.00 O ATOM 776 CB MET A 405 0.252 10.847 -15.134 1.00 0.00 C ATOM 777 CG MET A 405 1.453 10.659 -14.220 1.00 0.00 C ATOM 778 SD MET A 405 0.988 10.502 -12.485 1.00 0.00 S ATOM 779 CE MET A 405 0.067 8.967 -12.519 1.00 0.00 C ATOM 0 H MET A 405 1.770 12.344 -16.377 1.00 0.00 H new ATOM 0 HA MET A 405 -0.968 12.364 -16.044 1.00 0.00 H new ATOM 0 HB2 MET A 405 -0.614 10.358 -14.688 1.00 0.00 H new ATOM 0 HB3 MET A 405 0.446 10.348 -16.083 1.00 0.00 H new ATOM 0 HG2 MET A 405 2.002 9.769 -14.527 1.00 0.00 H new ATOM 0 HG3 MET A 405 2.129 11.506 -14.336 1.00 0.00 H new ATOM 0 HE1 MET A 405 -0.743 9.013 -11.791 1.00 0.00 H new ATOM 0 HE2 MET A 405 -0.348 8.814 -13.515 1.00 0.00 H new ATOM 0 HE3 MET A 405 0.731 8.139 -12.271 1.00 0.00 H new ATOM 789 N SER A 406 0.625 13.578 -13.459 1.00 0.00 N ATOM 790 CA SER A 406 0.456 14.282 -12.193 1.00 0.00 C ATOM 791 C SER A 406 -0.414 15.523 -12.374 1.00 0.00 C ATOM 792 O SER A 406 -1.330 15.771 -11.590 1.00 0.00 O ATOM 793 CB SER A 406 1.818 14.680 -11.621 1.00 0.00 C ATOM 794 OG SER A 406 1.688 15.726 -10.675 1.00 0.00 O ATOM 0 H SER A 406 1.585 13.553 -13.803 1.00 0.00 H new ATOM 0 HA SER A 406 -0.041 13.609 -11.494 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.285 13.815 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.477 14.997 -12.429 1.00 0.00 H new ATOM 0 HG SER A 406 2.572 15.961 -10.323 1.00 0.00 H new ATOM 800 N TYR A 407 -0.120 16.298 -13.412 1.00 0.00 N ATOM 801 CA TYR A 407 -0.872 17.514 -13.695 1.00 0.00 C ATOM 802 C TYR A 407 -2.200 17.188 -14.372 1.00 0.00 C ATOM 803 O TYR A 407 -3.132 17.993 -14.359 1.00 0.00 O ATOM 804 CB TYR A 407 -0.052 18.451 -14.583 1.00 0.00 C ATOM 805 CG TYR A 407 1.076 19.143 -13.852 1.00 0.00 C ATOM 806 CD1 TYR A 407 0.865 19.743 -12.616 1.00 0.00 C ATOM 807 CD2 TYR A 407 2.353 19.198 -14.397 1.00 0.00 C ATOM 808 CE1 TYR A 407 1.893 20.377 -11.945 1.00 0.00 C ATOM 809 CE2 TYR A 407 3.387 19.829 -13.732 1.00 0.00 C ATOM 810 CZ TYR A 407 3.152 20.417 -12.507 1.00 0.00 C ATOM 811 OH TYR A 407 4.179 21.047 -11.843 1.00 0.00 O ATOM 0 H TYR A 407 0.634 16.105 -14.071 1.00 0.00 H new ATOM 0 HA TYR A 407 -1.080 18.011 -12.747 1.00 0.00 H new ATOM 0 HB2 TYR A 407 0.361 17.881 -15.415 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -0.713 19.205 -15.010 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -0.119 19.713 -12.173 1.00 0.00 H new ATOM 0 HD2 TYR A 407 2.541 18.740 -15.357 1.00 0.00 H new ATOM 0 HE1 TYR A 407 1.712 20.839 -10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 407 4.374 19.861 -14.169 1.00 0.00 H new ATOM 0 HH TYR A 407 5.000 20.984 -12.375 1.00 0.00 H new ATOM 821 N HIS A 408 -2.280 15.999 -14.962 1.00 0.00 N ATOM 822 CA HIS A 408 -3.494 15.564 -15.644 1.00 0.00 C ATOM 823 C HIS A 408 -4.526 15.056 -14.642 1.00 0.00 C ATOM 824 O HIS A 408 -5.690 15.457 -14.677 1.00 0.00 O ATOM 825 CB HIS A 408 -3.169 14.468 -16.659 1.00 0.00 C ATOM 826 CG HIS A 408 -4.372 13.944 -17.381 1.00 0.00 C ATOM 827 ND1 HIS A 408 -4.949 14.593 -18.452 1.00 0.00 N ATOM 828 CD2 HIS A 408 -5.107 12.825 -17.180 1.00 0.00 C ATOM 829 CE1 HIS A 408 -5.988 13.897 -18.878 1.00 0.00 C ATOM 830 NE2 HIS A 408 -6.105 12.819 -18.123 1.00 0.00 N ATOM 0 H HIS A 408 -1.519 15.320 -14.981 1.00 0.00 H new ATOM 0 HA HIS A 408 -3.914 16.422 -16.169 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -2.459 14.859 -17.388 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -2.676 13.643 -16.145 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -4.624 15.473 -18.853 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -4.940 12.077 -16.420 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -6.632 14.164 -19.703 1.00 0.00 H new ATOM 838 N VAL A 409 -4.094 14.170 -13.751 1.00 0.00 N ATOM 839 CA VAL A 409 -4.980 13.607 -12.740 1.00 0.00 C ATOM 840 C VAL A 409 -5.500 14.689 -11.800 1.00 0.00 C ATOM 841 O VAL A 409 -6.708 14.894 -11.681 1.00 0.00 O ATOM 842 CB VAL A 409 -4.268 12.521 -11.911 1.00 0.00 C ATOM 843 CG1 VAL A 409 -5.195 11.978 -10.834 1.00 0.00 C ATOM 844 CG2 VAL A 409 -3.772 11.402 -12.814 1.00 0.00 C ATOM 0 H VAL A 409 -3.135 13.826 -13.709 1.00 0.00 H new ATOM 0 HA VAL A 409 -5.819 13.157 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.405 12.970 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -4.675 11.212 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -5.496 12.789 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -6.079 11.544 -11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.272 10.643 -12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -4.618 10.953 -13.334 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -3.071 11.807 -13.544 1.00 0.00 H new ATOM 854 N ARG A 410 -4.579 15.380 -11.136 1.00 0.00 N ATOM 855 CA ARG A 410 -4.944 16.442 -10.206 1.00 0.00 C ATOM 856 C ARG A 410 -5.887 17.443 -10.867 1.00 0.00 C ATOM 857 O ARG A 410 -6.811 17.953 -10.232 1.00 0.00 O ATOM 858 CB ARG A 410 -3.691 17.161 -9.702 1.00 0.00 C ATOM 859 CG ARG A 410 -2.672 16.233 -9.062 1.00 0.00 C ATOM 860 CD ARG A 410 -2.807 16.218 -7.547 1.00 0.00 C ATOM 861 NE ARG A 410 -2.281 14.987 -6.963 1.00 0.00 N ATOM 862 CZ ARG A 410 -2.322 14.715 -5.663 1.00 0.00 C ATOM 863 NH1 ARG A 410 -2.862 15.581 -4.818 1.00 0.00 N ATOM 864 NH2 ARG A 410 -1.822 13.573 -5.208 1.00 0.00 N ATOM 0 H ARG A 410 -3.575 15.223 -11.225 1.00 0.00 H new ATOM 0 HA ARG A 410 -5.459 15.988 -9.359 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -3.221 17.682 -10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -3.985 17.920 -8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -2.804 15.223 -9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -1.666 16.551 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -2.278 17.073 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -3.857 16.328 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 410 -1.859 14.299 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -3.248 16.459 -5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -2.892 15.369 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -1.406 12.904 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -1.853 13.364 -4.210 1.00 0.00 H new ATOM 878 N SER A 411 -5.647 17.720 -12.144 1.00 0.00 N ATOM 879 CA SER A 411 -6.472 18.663 -12.890 1.00 0.00 C ATOM 880 C SER A 411 -7.947 18.285 -12.798 1.00 0.00 C ATOM 881 O SER A 411 -8.827 19.143 -12.882 1.00 0.00 O ATOM 882 CB SER A 411 -6.036 18.707 -14.356 1.00 0.00 C ATOM 883 OG SER A 411 -7.155 18.805 -15.219 1.00 0.00 O ATOM 0 H SER A 411 -4.888 17.305 -12.684 1.00 0.00 H new ATOM 0 HA SER A 411 -6.339 19.651 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 411 -5.374 19.558 -14.516 1.00 0.00 H new ATOM 0 HB3 SER A 411 -5.466 17.810 -14.596 1.00 0.00 H new ATOM 0 HG SER A 411 -6.849 18.833 -16.150 1.00 0.00 H new ATOM 889 N HIS A 412 -8.211 16.994 -12.625 1.00 0.00 N ATOM 890 CA HIS A 412 -9.580 16.500 -12.521 1.00 0.00 C ATOM 891 C HIS A 412 -10.051 16.507 -11.070 1.00 0.00 C ATOM 892 O HIS A 412 -11.120 17.032 -10.757 1.00 0.00 O ATOM 893 CB HIS A 412 -9.680 15.087 -13.096 1.00 0.00 C ATOM 894 CG HIS A 412 -9.001 14.930 -14.421 1.00 0.00 C ATOM 895 ND1 HIS A 412 -9.146 15.833 -15.453 1.00 0.00 N ATOM 896 CD2 HIS A 412 -8.168 13.967 -14.881 1.00 0.00 C ATOM 897 CE1 HIS A 412 -8.433 15.432 -16.490 1.00 0.00 C ATOM 898 NE2 HIS A 412 -7.829 14.302 -16.169 1.00 0.00 N ATOM 0 H HIS A 412 -7.495 16.271 -12.554 1.00 0.00 H new ATOM 0 HA HIS A 412 -10.225 17.164 -13.097 1.00 0.00 H new ATOM 0 HB2 HIS A 412 -9.243 14.384 -12.387 1.00 0.00 H new ATOM 0 HB3 HIS A 412 -10.732 14.820 -13.202 1.00 0.00 H new ATOM 0 HD2 HIS A 412 -7.832 13.097 -14.336 1.00 0.00 H new ATOM 0 HE1 HIS A 412 -8.357 15.942 -17.439 1.00 0.00 H new ATOM 0 HE2 HIS A 412 -7.211 13.766 -16.778 1.00 0.00 H new ATOM 959 N LYS A 418 -21.187 15.023 -3.401 1.00 0.00 N ATOM 960 CA LYS A 418 -21.287 14.013 -2.354 1.00 0.00 C ATOM 961 C LYS A 418 -20.625 12.710 -2.789 1.00 0.00 C ATOM 962 O LYS A 418 -20.413 12.460 -3.975 1.00 0.00 O ATOM 963 CB LYS A 418 -22.754 13.759 -2.001 1.00 0.00 C ATOM 964 CG LYS A 418 -23.296 14.700 -0.938 1.00 0.00 C ATOM 965 CD LYS A 418 -23.134 16.155 -1.346 1.00 0.00 C ATOM 966 CE LYS A 418 -24.060 17.063 -0.551 1.00 0.00 C ATOM 967 NZ LYS A 418 -25.439 17.078 -1.112 1.00 0.00 N ATOM 0 HA LYS A 418 -20.767 14.387 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -23.358 13.857 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -22.863 12.731 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -24.350 14.485 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -22.776 14.525 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -22.100 16.464 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -23.344 16.261 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -24.094 16.729 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -23.659 18.076 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -26.105 17.413 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -25.473 17.715 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -25.704 16.117 -1.408 1.00 0.00 H new ATOM 981 N PRO A 419 -20.292 11.858 -1.808 1.00 0.00 N ATOM 982 CA PRO A 419 -19.651 10.565 -2.066 1.00 0.00 C ATOM 983 C PRO A 419 -20.594 9.575 -2.739 1.00 0.00 C ATOM 984 O PRO A 419 -20.233 8.927 -3.722 1.00 0.00 O ATOM 985 CB PRO A 419 -19.268 10.074 -0.668 1.00 0.00 C ATOM 986 CG PRO A 419 -20.227 10.752 0.248 1.00 0.00 C ATOM 987 CD PRO A 419 -20.515 12.091 -0.371 1.00 0.00 C ATOM 0 HA PRO A 419 -18.805 10.658 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 419 -19.349 8.990 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 419 -18.238 10.334 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 419 -21.141 10.168 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 419 -19.800 10.866 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 419 -21.536 12.415 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 419 -19.853 12.864 0.018 1.00 0.00 H new ATOM 995 N TYR A 420 -21.805 9.462 -2.204 1.00 0.00 N ATOM 996 CA TYR A 420 -22.800 8.548 -2.752 1.00 0.00 C ATOM 997 C TYR A 420 -23.919 9.315 -3.450 1.00 0.00 C ATOM 998 O TYR A 420 -24.419 10.314 -2.931 1.00 0.00 O ATOM 999 CB TYR A 420 -23.383 7.670 -1.643 1.00 0.00 C ATOM 1000 CG TYR A 420 -22.336 6.923 -0.849 1.00 0.00 C ATOM 1001 CD1 TYR A 420 -21.563 5.931 -1.440 1.00 0.00 C ATOM 1002 CD2 TYR A 420 -22.117 7.211 0.493 1.00 0.00 C ATOM 1003 CE1 TYR A 420 -20.606 5.245 -0.718 1.00 0.00 C ATOM 1004 CE2 TYR A 420 -21.161 6.531 1.222 1.00 0.00 C ATOM 1005 CZ TYR A 420 -20.408 5.549 0.613 1.00 0.00 C ATOM 1006 OH TYR A 420 -19.455 4.870 1.335 1.00 0.00 O ATOM 0 H TYR A 420 -22.121 9.992 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 420 -22.306 7.913 -3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -23.964 8.294 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -24.073 6.951 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -21.713 5.692 -2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -22.704 7.979 0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -20.016 4.475 -1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -21.004 6.767 2.264 1.00 0.00 H new ATOM 0 HH TYR A 420 -19.442 5.205 2.256 1.00 0.00 H new ATOM 1016 N ILE A 421 -24.308 8.841 -4.628 1.00 0.00 N ATOM 1017 CA ILE A 421 -25.369 9.480 -5.397 1.00 0.00 C ATOM 1018 C ILE A 421 -26.424 8.466 -5.826 1.00 0.00 C ATOM 1019 O ILE A 421 -26.114 7.304 -6.089 1.00 0.00 O ATOM 1020 CB ILE A 421 -24.812 10.185 -6.647 1.00 0.00 C ATOM 1021 CG1 ILE A 421 -23.970 9.213 -7.475 1.00 0.00 C ATOM 1022 CG2 ILE A 421 -23.987 11.400 -6.247 1.00 0.00 C ATOM 1023 CD1 ILE A 421 -22.516 9.165 -7.058 1.00 0.00 C ATOM 0 H ILE A 421 -23.904 8.016 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 421 -25.827 10.224 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 421 -25.649 10.523 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 421 -24.397 8.213 -7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 421 -24.029 9.498 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 421 -23.600 11.888 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 421 -24.614 12.100 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 421 -23.155 11.084 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 421 -21.980 8.455 -7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 421 -22.073 10.155 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 421 -22.446 8.850 -6.017 1.00 0.00 H new ATOM 1035 N CYS A 422 -27.673 8.915 -5.898 1.00 0.00 N ATOM 1036 CA CYS A 422 -28.775 8.049 -6.297 1.00 0.00 C ATOM 1037 C CYS A 422 -28.463 7.342 -7.613 1.00 0.00 C ATOM 1038 O CYS A 422 -27.611 7.789 -8.381 1.00 0.00 O ATOM 1039 CB CYS A 422 -30.065 8.860 -6.434 1.00 0.00 C ATOM 1040 SG CYS A 422 -31.585 7.857 -6.377 1.00 0.00 S ATOM 0 H CYS A 422 -27.947 9.874 -5.685 1.00 0.00 H new ATOM 0 HA CYS A 422 -28.909 7.294 -5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -30.102 9.601 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -30.039 9.407 -7.376 1.00 0.00 H new ATOM 0 HG CYS A 422 -32.506 8.423 -7.099 1.00 0.00 H new ATOM 1045 N GLN A 423 -29.159 6.238 -7.866 1.00 0.00 N ATOM 1046 CA GLN A 423 -28.955 5.471 -9.088 1.00 0.00 C ATOM 1047 C GLN A 423 -29.931 5.910 -10.175 1.00 0.00 C ATOM 1048 O GLN A 423 -29.842 5.464 -11.319 1.00 0.00 O ATOM 1049 CB GLN A 423 -29.122 3.976 -8.810 1.00 0.00 C ATOM 1050 CG GLN A 423 -30.566 3.557 -8.581 1.00 0.00 C ATOM 1051 CD GLN A 423 -31.123 2.734 -9.725 1.00 0.00 C ATOM 1052 OE1 GLN A 423 -31.615 3.278 -10.715 1.00 0.00 O ATOM 1053 NE2 GLN A 423 -31.050 1.414 -9.597 1.00 0.00 N ATOM 0 H GLN A 423 -29.869 5.855 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 423 -27.940 5.657 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 423 -28.717 3.411 -9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 423 -28.532 3.710 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 423 -30.631 2.980 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 423 -31.181 4.446 -8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 423 -30.634 1.005 -8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 423 -31.409 0.809 -10.336 1.00 0.00 H new ATOM 1062 N SER A 424 -30.861 6.786 -9.810 1.00 0.00 N ATOM 1063 CA SER A 424 -31.856 7.282 -10.754 1.00 0.00 C ATOM 1064 C SER A 424 -31.586 8.740 -11.112 1.00 0.00 C ATOM 1065 O SER A 424 -31.092 9.044 -12.198 1.00 0.00 O ATOM 1066 CB SER A 424 -33.262 7.141 -10.167 1.00 0.00 C ATOM 1067 OG SER A 424 -33.906 5.979 -10.659 1.00 0.00 O ATOM 0 H SER A 424 -30.947 7.167 -8.868 1.00 0.00 H new ATOM 0 HA SER A 424 -31.788 6.684 -11.663 1.00 0.00 H new ATOM 0 HB2 SER A 424 -33.202 7.095 -9.080 1.00 0.00 H new ATOM 0 HB3 SER A 424 -33.854 8.022 -10.417 1.00 0.00 H new ATOM 0 HG SER A 424 -34.802 5.911 -10.268 1.00 0.00 H new ATOM 1073 N CYS A 425 -31.913 9.639 -10.189 1.00 0.00 N ATOM 1074 CA CYS A 425 -31.707 11.066 -10.405 1.00 0.00 C ATOM 1075 C CYS A 425 -30.240 11.440 -10.212 1.00 0.00 C ATOM 1076 O CYS A 425 -29.798 12.505 -10.640 1.00 0.00 O ATOM 1077 CB CYS A 425 -32.582 11.879 -9.449 1.00 0.00 C ATOM 1078 SG CYS A 425 -32.282 11.529 -7.687 1.00 0.00 S ATOM 0 H CYS A 425 -32.322 9.404 -9.284 1.00 0.00 H new ATOM 0 HA CYS A 425 -31.990 11.297 -11.432 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -32.412 12.940 -9.632 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -33.630 11.680 -9.675 1.00 0.00 H new ATOM 0 HG CYS A 425 -33.068 12.265 -6.958 1.00 0.00 H new ATOM 1083 N GLY A 426 -29.490 10.554 -9.563 1.00 0.00 N ATOM 1084 CA GLY A 426 -28.082 10.808 -9.324 1.00 0.00 C ATOM 1085 C GLY A 426 -27.832 12.182 -8.735 1.00 0.00 C ATOM 1086 O GLY A 426 -27.109 12.993 -9.315 1.00 0.00 O ATOM 0 H GLY A 426 -29.833 9.665 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -27.689 10.049 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -27.535 10.713 -10.262 1.00 0.00 H new ATOM 1090 N LYS A 427 -28.433 12.447 -7.580 1.00 0.00 N ATOM 1091 CA LYS A 427 -28.273 13.733 -6.912 1.00 0.00 C ATOM 1092 C LYS A 427 -27.017 13.744 -6.046 1.00 0.00 C ATOM 1093 O LYS A 427 -26.005 14.339 -6.413 1.00 0.00 O ATOM 1094 CB LYS A 427 -29.501 14.040 -6.051 1.00 0.00 C ATOM 1095 CG LYS A 427 -29.400 15.351 -5.291 1.00 0.00 C ATOM 1096 CD LYS A 427 -30.736 15.751 -4.688 1.00 0.00 C ATOM 1097 CE LYS A 427 -31.086 17.194 -5.016 1.00 0.00 C ATOM 1098 NZ LYS A 427 -30.408 18.152 -4.100 1.00 0.00 N ATOM 0 H LYS A 427 -29.036 11.788 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 427 -28.172 14.502 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -30.384 14.067 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -29.647 13.228 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -28.656 15.257 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -29.053 16.136 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -31.518 15.091 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -30.702 15.621 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -30.800 17.412 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -32.165 17.330 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -30.673 19.124 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -30.700 17.961 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -29.377 18.041 -4.182 1.00 0.00 H new ATOM 1112 N GLY A 428 -27.090 13.081 -4.896 1.00 0.00 N ATOM 1113 CA GLY A 428 -25.952 13.026 -3.998 1.00 0.00 C ATOM 1114 C GLY A 428 -26.330 13.336 -2.563 1.00 0.00 C ATOM 1115 O GLY A 428 -26.974 14.349 -2.288 1.00 0.00 O ATOM 0 H GLY A 428 -27.917 12.581 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -25.503 12.034 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -25.195 13.735 -4.332 1.00 0.00 H new ATOM 1119 N PHE A 429 -25.931 12.461 -1.646 1.00 0.00 N ATOM 1120 CA PHE A 429 -26.235 12.645 -0.231 1.00 0.00 C ATOM 1121 C PHE A 429 -24.972 12.526 0.616 1.00 0.00 C ATOM 1122 O PHE A 429 -24.124 11.668 0.369 1.00 0.00 O ATOM 1123 CB PHE A 429 -27.269 11.615 0.228 1.00 0.00 C ATOM 1124 CG PHE A 429 -28.638 11.842 -0.346 1.00 0.00 C ATOM 1125 CD1 PHE A 429 -28.929 11.467 -1.648 1.00 0.00 C ATOM 1126 CD2 PHE A 429 -29.634 12.433 0.415 1.00 0.00 C ATOM 1127 CE1 PHE A 429 -30.188 11.674 -2.180 1.00 0.00 C ATOM 1128 CE2 PHE A 429 -30.895 12.642 -0.111 1.00 0.00 C ATOM 1129 CZ PHE A 429 -31.172 12.264 -1.410 1.00 0.00 C ATOM 0 H PHE A 429 -25.397 11.618 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 429 -26.646 13.646 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 429 -26.927 10.619 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 429 -27.332 11.636 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 429 -28.163 11.007 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 429 -29.423 12.734 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 429 -30.402 11.375 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -31.663 13.101 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 429 -32.156 12.429 -1.823 1.00 0.00 H new ATOM 1139 N SER A 430 -24.853 13.395 1.615 1.00 0.00 N ATOM 1140 CA SER A 430 -23.691 13.392 2.497 1.00 0.00 C ATOM 1141 C SER A 430 -23.443 11.997 3.063 1.00 0.00 C ATOM 1142 O SER A 430 -22.353 11.442 2.921 1.00 0.00 O ATOM 1143 CB SER A 430 -23.888 14.390 3.639 1.00 0.00 C ATOM 1144 OG SER A 430 -24.606 15.531 3.200 1.00 0.00 O ATOM 0 H SER A 430 -25.547 14.110 1.834 1.00 0.00 H new ATOM 0 HA SER A 430 -22.821 13.688 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 430 -24.426 13.910 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 430 -22.918 14.695 4.031 1.00 0.00 H new ATOM 0 HG SER A 430 -24.721 16.153 3.948 1.00 0.00 H new ATOM 1150 N ARG A 431 -24.462 11.436 3.705 1.00 0.00 N ATOM 1151 CA ARG A 431 -24.355 10.106 4.294 1.00 0.00 C ATOM 1152 C ARG A 431 -25.070 9.070 3.431 1.00 0.00 C ATOM 1153 O ARG A 431 -25.920 9.396 2.603 1.00 0.00 O ATOM 1154 CB ARG A 431 -24.943 10.102 5.706 1.00 0.00 C ATOM 1155 CG ARG A 431 -23.911 10.341 6.797 1.00 0.00 C ATOM 1156 CD ARG A 431 -23.948 11.777 7.294 1.00 0.00 C ATOM 1157 NE ARG A 431 -22.618 12.268 7.646 1.00 0.00 N ATOM 1158 CZ ARG A 431 -21.982 11.931 8.762 1.00 0.00 C ATOM 1159 NH1 ARG A 431 -22.550 11.105 9.630 1.00 0.00 N ATOM 1160 NH2 ARG A 431 -20.774 12.420 9.012 1.00 0.00 N ATOM 0 H ARG A 431 -25.371 11.881 3.831 1.00 0.00 H new ATOM 0 HA ARG A 431 -23.298 9.843 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 431 -25.713 10.870 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 431 -25.432 9.144 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 431 -24.096 9.662 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 431 -22.916 10.113 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 431 -24.378 12.416 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 431 -24.601 11.843 8.164 1.00 0.00 H new ATOM 0 HE ARG A 431 -22.152 12.905 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 431 -23.478 10.726 9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 431 -22.059 10.848 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 431 -20.333 13.055 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 431 -20.286 12.161 9.869 1.00 0.00 H new ATOM 1174 N PRO A 432 -24.717 7.791 3.628 1.00 0.00 N ATOM 1175 CA PRO A 432 -25.312 6.681 2.878 1.00 0.00 C ATOM 1176 C PRO A 432 -26.770 6.441 3.257 1.00 0.00 C ATOM 1177 O PRO A 432 -27.630 6.292 2.390 1.00 0.00 O ATOM 1178 CB PRO A 432 -24.451 5.481 3.277 1.00 0.00 C ATOM 1179 CG PRO A 432 -23.899 5.838 4.614 1.00 0.00 C ATOM 1180 CD PRO A 432 -23.711 7.330 4.599 1.00 0.00 C ATOM 0 HA PRO A 432 -25.326 6.875 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 432 -25.043 4.567 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 432 -23.654 5.307 2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 432 -24.580 5.538 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 432 -22.953 5.327 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 432 -23.875 7.766 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 432 -22.702 7.605 4.293 1.00 0.00 H new ATOM 1188 N ASP A 433 -27.039 6.404 4.557 1.00 0.00 N ATOM 1189 CA ASP A 433 -28.393 6.183 5.052 1.00 0.00 C ATOM 1190 C ASP A 433 -29.364 7.194 4.449 1.00 0.00 C ATOM 1191 O ASP A 433 -30.532 6.884 4.212 1.00 0.00 O ATOM 1192 CB ASP A 433 -28.424 6.276 6.578 1.00 0.00 C ATOM 1193 CG ASP A 433 -29.761 5.857 7.157 1.00 0.00 C ATOM 1194 OD1 ASP A 433 -30.553 5.226 6.426 1.00 0.00 O ATOM 1195 OD2 ASP A 433 -30.015 6.160 8.341 1.00 0.00 O ATOM 0 H ASP A 433 -26.337 6.524 5.288 1.00 0.00 H new ATOM 0 HA ASP A 433 -28.704 5.183 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 433 -27.638 5.645 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 433 -28.205 7.300 6.881 1.00 0.00 H new ATOM 1200 N HIS A 434 -28.872 8.404 4.203 1.00 0.00 N ATOM 1201 CA HIS A 434 -29.696 9.462 3.628 1.00 0.00 C ATOM 1202 C HIS A 434 -30.187 9.072 2.237 1.00 0.00 C ATOM 1203 O HIS A 434 -31.310 9.398 1.850 1.00 0.00 O ATOM 1204 CB HIS A 434 -28.908 10.770 3.556 1.00 0.00 C ATOM 1205 CG HIS A 434 -28.585 11.350 4.899 1.00 0.00 C ATOM 1206 ND1 HIS A 434 -28.395 10.752 6.099 1.00 0.00 N flip ATOM 1207 CD2 HIS A 434 -28.425 12.702 5.116 1.00 0.00 C flip ATOM 1208 CE1 HIS A 434 -28.124 11.744 7.009 1.00 0.00 C flip ATOM 1209 NE2 HIS A 434 -28.148 12.911 6.391 1.00 0.00 N flip ATOM 0 H HIS A 434 -27.908 8.676 4.393 1.00 0.00 H new ATOM 0 HA HIS A 434 -30.563 9.605 4.273 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -27.980 10.596 3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -29.481 11.499 2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -28.512 13.470 4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -27.924 11.594 8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 434 -27.981 13.819 6.824 1.00 0.00 H new ATOM 1217 N LEU A 435 -29.339 8.374 1.490 1.00 0.00 N ATOM 1218 CA LEU A 435 -29.686 7.940 0.141 1.00 0.00 C ATOM 1219 C LEU A 435 -30.714 6.814 0.179 1.00 0.00 C ATOM 1220 O LEU A 435 -31.525 6.670 -0.734 1.00 0.00 O ATOM 1221 CB LEU A 435 -28.433 7.479 -0.605 1.00 0.00 C ATOM 1222 CG LEU A 435 -28.653 6.954 -2.025 1.00 0.00 C ATOM 1223 CD1 LEU A 435 -29.184 8.058 -2.926 1.00 0.00 C ATOM 1224 CD2 LEU A 435 -27.360 6.380 -2.587 1.00 0.00 C ATOM 0 H LEU A 435 -28.406 8.096 1.795 1.00 0.00 H new ATOM 0 HA LEU A 435 -30.124 8.788 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 435 -27.734 8.314 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 435 -27.953 6.695 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 435 -29.395 6.157 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 435 -29.334 7.666 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 435 -30.133 8.423 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 435 -28.466 8.877 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 435 -27.535 6.011 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 435 -26.597 7.158 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 435 -27.021 5.559 -1.955 1.00 0.00 H new ATOM 1236 N ASN A 436 -30.673 6.018 1.243 1.00 0.00 N ATOM 1237 CA ASN A 436 -31.602 4.905 1.400 1.00 0.00 C ATOM 1238 C ASN A 436 -33.040 5.406 1.496 1.00 0.00 C ATOM 1239 O ASN A 436 -33.942 4.859 0.863 1.00 0.00 O ATOM 1240 CB ASN A 436 -31.250 4.092 2.647 1.00 0.00 C ATOM 1241 CG ASN A 436 -32.376 3.171 3.074 1.00 0.00 C ATOM 1242 OD1 ASN A 436 -32.535 2.075 2.536 1.00 0.00 O ATOM 1243 ND2 ASN A 436 -33.165 3.612 4.047 1.00 0.00 N ATOM 0 H ASN A 436 -30.007 6.123 2.008 1.00 0.00 H new ATOM 0 HA ASN A 436 -31.516 4.266 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 436 -30.355 3.501 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 436 -31.010 4.772 3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 436 -33.939 3.036 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 436 -32.997 4.527 4.465 1.00 0.00 H new ATOM 1250 N GLY A 437 -33.245 6.451 2.291 1.00 0.00 N ATOM 1251 CA GLY A 437 -34.575 7.009 2.455 1.00 0.00 C ATOM 1252 C GLY A 437 -35.106 7.627 1.177 1.00 0.00 C ATOM 1253 O GLY A 437 -36.302 7.554 0.893 1.00 0.00 O ATOM 0 H GLY A 437 -32.514 6.922 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -35.256 6.225 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -34.554 7.766 3.239 1.00 0.00 H new ATOM 1257 N HIS A 438 -34.215 8.239 0.402 1.00 0.00 N ATOM 1258 CA HIS A 438 -34.601 8.873 -0.853 1.00 0.00 C ATOM 1259 C HIS A 438 -35.144 7.843 -1.838 1.00 0.00 C ATOM 1260 O HIS A 438 -36.052 8.134 -2.618 1.00 0.00 O ATOM 1261 CB HIS A 438 -33.407 9.604 -1.468 1.00 0.00 C ATOM 1262 CG HIS A 438 -33.647 10.068 -2.871 1.00 0.00 C ATOM 1263 ND1 HIS A 438 -34.050 11.349 -3.182 1.00 0.00 N ATOM 1264 CD2 HIS A 438 -33.536 9.413 -4.051 1.00 0.00 C ATOM 1265 CE1 HIS A 438 -34.179 11.462 -4.492 1.00 0.00 C ATOM 1266 NE2 HIS A 438 -33.872 10.302 -5.043 1.00 0.00 N ATOM 0 H HIS A 438 -33.221 8.309 0.622 1.00 0.00 H new ATOM 0 HA HIS A 438 -35.389 9.595 -0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 438 -33.159 10.465 -0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 438 -32.541 8.942 -1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 438 -33.239 8.384 -4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 438 -34.484 12.352 -5.022 1.00 0.00 H new ATOM 0 HE2 HIS A 438 -33.883 10.099 -6.043 1.00 0.00 H new ATOM 1274 N ILE A 439 -34.583 6.639 -1.797 1.00 0.00 N ATOM 1275 CA ILE A 439 -35.011 5.566 -2.686 1.00 0.00 C ATOM 1276 C ILE A 439 -36.349 4.986 -2.241 1.00 0.00 C ATOM 1277 O ILE A 439 -37.103 4.443 -3.050 1.00 0.00 O ATOM 1278 CB ILE A 439 -33.968 4.435 -2.747 1.00 0.00 C ATOM 1279 CG1 ILE A 439 -32.621 4.979 -3.227 1.00 0.00 C ATOM 1280 CG2 ILE A 439 -34.450 3.318 -3.660 1.00 0.00 C ATOM 1281 CD1 ILE A 439 -31.464 4.038 -2.973 1.00 0.00 C ATOM 0 H ILE A 439 -33.831 6.382 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 439 -35.119 6.002 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 439 -33.837 4.027 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -32.682 5.187 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -32.423 5.928 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -33.702 2.526 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -35.388 2.915 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -34.606 3.711 -4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -30.541 4.489 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -31.376 3.850 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -31.639 3.097 -3.494 1.00 0.00 H new ATOM 1293 N LYS A 440 -36.640 5.104 -0.950 1.00 0.00 N ATOM 1294 CA LYS A 440 -37.888 4.594 -0.396 1.00 0.00 C ATOM 1295 C LYS A 440 -38.970 5.670 -0.412 1.00 0.00 C ATOM 1296 O LYS A 440 -40.158 5.369 -0.300 1.00 0.00 O ATOM 1297 CB LYS A 440 -37.670 4.096 1.034 1.00 0.00 C ATOM 1298 CG LYS A 440 -37.569 2.585 1.143 1.00 0.00 C ATOM 1299 CD LYS A 440 -36.466 2.034 0.254 1.00 0.00 C ATOM 1300 CE LYS A 440 -35.779 0.838 0.895 1.00 0.00 C ATOM 1301 NZ LYS A 440 -35.246 -0.107 -0.125 1.00 0.00 N ATOM 0 H LYS A 440 -36.027 5.549 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 440 -38.219 3.761 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 440 -36.758 4.542 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 440 -38.492 4.443 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 440 -37.376 2.306 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 440 -38.522 2.135 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 440 -36.885 1.741 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 440 -35.731 2.815 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 440 -34.964 1.185 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 440 -36.486 0.316 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 -34.785 -0.908 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 -36.027 -0.458 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 -34.553 0.384 -0.725 1.00 0.00 H new ATOM 1315 N GLN A 441 -38.550 6.923 -0.553 1.00 0.00 N ATOM 1316 CA GLN A 441 -39.484 8.042 -0.584 1.00 0.00 C ATOM 1317 C GLN A 441 -39.738 8.500 -2.016 1.00 0.00 C ATOM 1318 O GLN A 441 -40.859 8.414 -2.517 1.00 0.00 O ATOM 1319 CB GLN A 441 -38.944 9.207 0.248 1.00 0.00 C ATOM 1320 CG GLN A 441 -40.020 9.950 1.024 1.00 0.00 C ATOM 1321 CD GLN A 441 -39.534 11.278 1.571 1.00 0.00 C ATOM 1322 OE1 GLN A 441 -38.333 11.489 1.744 1.00 0.00 O ATOM 1323 NE2 GLN A 441 -40.466 12.182 1.846 1.00 0.00 N ATOM 0 H GLN A 441 -37.570 7.189 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 441 -40.429 7.706 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 441 -38.199 8.828 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 441 -38.434 9.908 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -40.878 10.121 0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -40.364 9.326 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -41.450 11.965 1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -40.198 13.094 2.216 1.00 0.00 H new ATOM 1332 N VAL A 442 -38.689 8.987 -2.671 1.00 0.00 N ATOM 1333 CA VAL A 442 -38.798 9.458 -4.047 1.00 0.00 C ATOM 1334 C VAL A 442 -39.061 8.301 -5.005 1.00 0.00 C ATOM 1335 O VAL A 442 -40.135 8.205 -5.600 1.00 0.00 O ATOM 1336 CB VAL A 442 -37.522 10.197 -4.490 1.00 0.00 C ATOM 1337 CG1 VAL A 442 -37.644 10.655 -5.936 1.00 0.00 C ATOM 1338 CG2 VAL A 442 -37.242 11.376 -3.571 1.00 0.00 C ATOM 0 H VAL A 442 -37.754 9.066 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 442 -39.639 10.150 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 442 -36.682 9.506 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -36.733 11.175 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -37.792 9.789 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -38.495 11.330 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -36.337 11.886 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -38.082 12.070 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -37.107 11.018 -2.550 1.00 0.00 H new ATOM 1348 N HIS A 443 -38.073 7.423 -5.149 1.00 0.00 N ATOM 1349 CA HIS A 443 -38.198 6.270 -6.034 1.00 0.00 C ATOM 1350 C HIS A 443 -38.786 5.075 -5.290 1.00 0.00 C ATOM 1351 O HIS A 443 -38.241 3.972 -5.339 1.00 0.00 O ATOM 1352 CB HIS A 443 -36.835 5.901 -6.620 1.00 0.00 C ATOM 1353 CG HIS A 443 -36.095 7.069 -7.196 1.00 0.00 C ATOM 1354 ND1 HIS A 443 -36.487 7.714 -8.350 1.00 0.00 N ATOM 1355 CD2 HIS A 443 -34.980 7.708 -6.770 1.00 0.00 C ATOM 1356 CE1 HIS A 443 -35.645 8.699 -8.609 1.00 0.00 C ATOM 1357 NE2 HIS A 443 -34.722 8.717 -7.665 1.00 0.00 N ATOM 0 H HIS A 443 -37.178 7.488 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 443 -38.874 6.538 -6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 443 -36.225 5.444 -5.841 1.00 0.00 H new ATOM 0 HB3 HIS A 443 -36.974 5.150 -7.398 1.00 0.00 H new ATOM 0 HD1 HIS A 443 -37.300 7.469 -8.915 1.00 0.00 H new ATOM 0 HD2 HIS A 443 -34.401 7.469 -5.890 1.00 0.00 H new ATOM 0 HE1 HIS A 443 -35.702 9.374 -9.450 1.00 0.00 H new