USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 29 ASN : amide:sc= 0.947 K(o=0.48,f=-0.9) USER MOD Set 1.2: A 78 MET CE :methyl 168:sc= -0.466 (180deg=-0.916) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.796) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0895 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 170:sc= 0.149 USER MOD Single : A 35 THR OG1 : rot -45:sc= 0.0368 USER MOD Single : A 37 HIS : no HE2:sc= 0.624 K(o=0.62,f=-2.1!) USER MOD Single : A 44 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00592 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0347) USER MOD Single : A 69 MET CE :methyl -176:sc= -0.397 (180deg=-0.499) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= 1.28 (180deg=0.46) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 82 TYR OH : rot 138:sc= 0.00944 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.102 USER MOD Single : A 89 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-1.4) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 162:sc= -0.0476 (180deg=-0.473) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.490 -3.346 2.522 1.00 0.00 N ATOM 127 CA PHE A 11 -12.308 -3.234 1.082 1.00 0.00 C ATOM 128 C PHE A 11 -11.098 -2.353 0.797 1.00 0.00 C ATOM 129 O PHE A 11 -11.193 -1.341 0.106 1.00 0.00 O ATOM 130 CB PHE A 11 -13.577 -2.670 0.445 1.00 0.00 C ATOM 131 CG PHE A 11 -14.831 -3.405 0.860 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.803 -4.795 1.046 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.022 -2.696 1.065 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.962 -5.472 1.439 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.182 -3.374 1.463 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.152 -4.763 1.651 1.00 0.00 C ATOM 0 HA PHE A 11 -12.126 -4.217 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.674 -1.618 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.481 -2.713 -0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.886 -5.343 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.046 -1.627 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.940 -6.543 1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.099 -2.827 1.625 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.045 -5.286 1.959 1.00 0.00 H new ATOM 146 N VAL A 12 -9.951 -2.755 1.343 1.00 0.00 N ATOM 147 CA VAL A 12 -8.718 -1.991 1.248 1.00 0.00 C ATOM 148 C VAL A 12 -7.604 -2.906 0.764 1.00 0.00 C ATOM 149 O VAL A 12 -7.655 -4.117 0.974 1.00 0.00 O ATOM 150 CB VAL A 12 -8.380 -1.416 2.632 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.091 -0.595 2.619 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.507 -0.510 3.121 1.00 0.00 C ATOM 0 H VAL A 12 -9.856 -3.626 1.866 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.832 -1.169 0.541 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.250 -2.270 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.895 -0.210 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.260 -1.227 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.197 0.238 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.253 -0.110 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.643 0.312 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.431 -1.084 3.191 1.00 0.00 H new ATOM 162 N VAL A 13 -6.595 -2.322 0.115 1.00 0.00 N ATOM 163 CA VAL A 13 -5.424 -3.075 -0.315 1.00 0.00 C ATOM 164 C VAL A 13 -4.140 -2.310 -0.034 1.00 0.00 C ATOM 165 O VAL A 13 -4.131 -1.083 0.040 1.00 0.00 O ATOM 166 CB VAL A 13 -5.506 -3.425 -1.804 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.654 -4.399 -2.058 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.692 -2.190 -2.687 1.00 0.00 C ATOM 0 H VAL A 13 -6.569 -1.330 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.409 -4.000 0.261 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.555 -3.887 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.700 -4.638 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.489 -5.313 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.594 -3.942 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.744 -2.495 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.616 -1.681 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.849 -1.513 -2.548 1.00 0.00 H new ATOM 178 N LYS A 14 -3.049 -3.064 0.121 1.00 0.00 N ATOM 179 CA LYS A 14 -1.715 -2.516 0.297 1.00 0.00 C ATOM 180 C LYS A 14 -1.113 -2.238 -1.074 1.00 0.00 C ATOM 181 O LYS A 14 -1.560 -2.802 -2.071 1.00 0.00 O ATOM 182 CB LYS A 14 -0.827 -3.524 1.035 1.00 0.00 C ATOM 183 CG LYS A 14 -1.562 -4.213 2.185 1.00 0.00 C ATOM 184 CD LYS A 14 -0.566 -5.035 3.006 1.00 0.00 C ATOM 185 CE LYS A 14 -1.302 -5.908 4.019 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.351 -6.664 4.851 1.00 0.00 N ATOM 0 H LYS A 14 -3.075 -4.084 0.127 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.776 -1.597 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.473 -4.277 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.053 -3.012 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.046 -3.470 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.348 -4.859 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.032 -5.661 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.124 -4.369 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.930 -5.284 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.964 -6.599 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.872 -7.337 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.309 -7.184 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.182 -6.006 5.454 1.00 0.00 H new ATOM 200 N LEU A 15 -0.102 -1.373 -1.123 1.00 0.00 N ATOM 201 CA LEU A 15 0.609 -1.058 -2.344 1.00 0.00 C ATOM 202 C LEU A 15 2.087 -0.883 -2.005 1.00 0.00 C ATOM 203 O LEU A 15 2.427 -0.185 -1.053 1.00 0.00 O ATOM 204 CB LEU A 15 0.001 0.238 -2.877 1.00 0.00 C ATOM 205 CG LEU A 15 0.076 0.419 -4.390 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.484 0.247 -4.952 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.866 -0.556 -5.091 1.00 0.00 C ATOM 0 H LEU A 15 0.244 -0.871 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 15 0.526 -1.842 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.045 0.281 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.505 1.079 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.227 1.448 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.464 0.389 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.148 0.984 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.847 -0.755 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.800 -0.414 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.582 -1.579 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.889 -0.373 -4.763 1.00 0.00 H new ATOM 219 N ARG A 16 2.967 -1.514 -2.782 1.00 0.00 N ATOM 220 CA ARG A 16 4.404 -1.463 -2.543 1.00 0.00 C ATOM 221 C ARG A 16 5.154 -1.480 -3.867 1.00 0.00 C ATOM 222 O ARG A 16 4.555 -1.668 -4.925 1.00 0.00 O ATOM 223 CB ARG A 16 4.836 -2.652 -1.677 1.00 0.00 C ATOM 224 CG ARG A 16 4.163 -2.612 -0.303 1.00 0.00 C ATOM 225 CD ARG A 16 4.659 -3.768 0.563 1.00 0.00 C ATOM 226 NE ARG A 16 6.068 -3.605 0.931 1.00 0.00 N ATOM 227 CZ ARG A 16 6.849 -4.595 1.363 1.00 0.00 C ATOM 228 NH1 ARG A 16 6.372 -5.831 1.497 1.00 0.00 N ATOM 229 NH2 ARG A 16 8.120 -4.341 1.662 1.00 0.00 N ATOM 0 H ARG A 16 2.702 -2.073 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 16 4.641 -0.539 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.582 -3.584 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.919 -2.641 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.378 -1.663 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.081 -2.673 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.052 -3.832 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.530 -4.707 0.025 1.00 0.00 H new ATOM 0 HE ARG A 16 6.477 -2.674 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.398 -6.029 1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.981 -6.579 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.489 -3.395 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.726 -5.092 1.993 1.00 0.00 H new ATOM 243 N GLY A 17 6.471 -1.282 -3.804 1.00 0.00 N ATOM 244 CA GLY A 17 7.303 -1.257 -4.991 1.00 0.00 C ATOM 245 C GLY A 17 7.732 0.169 -5.283 1.00 0.00 C ATOM 246 O GLY A 17 8.242 0.849 -4.397 1.00 0.00 O ATOM 0 H GLY A 17 6.981 -1.136 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.180 -1.889 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.754 -1.663 -5.841 1.00 0.00 H new ATOM 250 N LEU A 18 7.519 0.612 -6.529 1.00 0.00 N ATOM 251 CA LEU A 18 7.722 2.006 -6.917 1.00 0.00 C ATOM 252 C LEU A 18 9.224 2.337 -6.914 1.00 0.00 C ATOM 253 O LEU A 18 10.008 1.567 -6.367 1.00 0.00 O ATOM 254 CB LEU A 18 6.874 2.914 -6.006 1.00 0.00 C ATOM 255 CG LEU A 18 5.492 2.317 -5.688 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.655 3.303 -4.880 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.728 1.967 -6.964 1.00 0.00 C ATOM 0 H LEU A 18 7.202 0.013 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 18 7.381 2.183 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.412 3.090 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.744 3.883 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 18 5.662 1.408 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.681 2.863 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.165 3.531 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.520 4.220 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.756 1.548 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.586 2.867 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.296 1.236 -7.539 1.00 0.00 H new ATOM 269 N PRO A 19 9.661 3.457 -7.507 1.00 0.00 N ATOM 270 CA PRO A 19 11.076 3.732 -7.722 1.00 0.00 C ATOM 271 C PRO A 19 11.791 4.187 -6.449 1.00 0.00 C ATOM 272 O PRO A 19 13.013 4.082 -6.364 1.00 0.00 O ATOM 273 CB PRO A 19 11.096 4.838 -8.775 1.00 0.00 C ATOM 274 CG PRO A 19 9.814 5.615 -8.486 1.00 0.00 C ATOM 275 CD PRO A 19 8.839 4.531 -8.026 1.00 0.00 C ATOM 0 HA PRO A 19 11.605 2.832 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.980 5.469 -8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.102 4.432 -9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.967 6.371 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.450 6.133 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.163 4.912 -7.260 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.220 4.185 -8.854 1.00 0.00 H new ATOM 283 N TRP A 20 11.023 4.686 -5.476 1.00 0.00 N ATOM 284 CA TRP A 20 11.482 5.186 -4.181 1.00 0.00 C ATOM 285 C TRP A 20 10.349 5.999 -3.550 1.00 0.00 C ATOM 286 O TRP A 20 10.226 6.052 -2.329 1.00 0.00 O ATOM 287 CB TRP A 20 12.674 6.140 -4.337 1.00 0.00 C ATOM 288 CG TRP A 20 14.082 5.650 -4.140 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.148 6.474 -4.227 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.644 4.327 -3.833 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.316 5.776 -4.025 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.065 4.448 -3.770 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.122 3.046 -3.559 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.907 3.371 -3.475 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.963 1.975 -3.221 1.00 0.00 C ATOM 296 CH2 TRP A 20 16.349 2.124 -3.219 1.00 0.00 C ATOM 0 H TRP A 20 10.010 4.755 -5.578 1.00 0.00 H new ATOM 0 HA TRP A 20 11.775 4.330 -3.574 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.619 6.561 -5.341 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.520 6.962 -3.638 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.092 7.534 -4.427 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.248 6.190 -4.060 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.055 2.886 -3.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.978 3.507 -3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.530 1.021 -2.958 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.986 1.275 -3.020 1.00 0.00 H new ATOM 307 N SER A 21 9.527 6.626 -4.399 1.00 0.00 N ATOM 308 CA SER A 21 8.418 7.483 -3.998 1.00 0.00 C ATOM 309 C SER A 21 7.370 7.514 -5.110 1.00 0.00 C ATOM 310 O SER A 21 7.627 7.030 -6.212 1.00 0.00 O ATOM 311 CB SER A 21 8.940 8.895 -3.729 1.00 0.00 C ATOM 312 OG SER A 21 9.542 9.420 -4.894 1.00 0.00 O ATOM 0 H SER A 21 9.622 6.546 -5.411 1.00 0.00 H new ATOM 0 HA SER A 21 7.960 7.092 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.120 9.540 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.664 8.875 -2.914 1.00 0.00 H new ATOM 0 HG SER A 21 9.872 10.325 -4.713 1.00 0.00 H new ATOM 318 N CYS A 22 6.190 8.081 -4.838 1.00 0.00 N ATOM 319 CA CYS A 22 5.108 8.095 -5.812 1.00 0.00 C ATOM 320 C CYS A 22 4.065 9.168 -5.481 1.00 0.00 C ATOM 321 O CYS A 22 4.244 9.945 -4.542 1.00 0.00 O ATOM 322 CB CYS A 22 4.479 6.702 -5.819 1.00 0.00 C ATOM 323 SG CYS A 22 3.516 6.437 -7.330 1.00 0.00 S ATOM 0 H CYS A 22 5.966 8.534 -3.952 1.00 0.00 H new ATOM 0 HA CYS A 22 5.499 8.343 -6.799 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.260 5.945 -5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.835 6.585 -4.947 1.00 0.00 H new ATOM 0 HG CYS A 22 2.995 5.246 -7.310 1.00 0.00 H new ATOM 329 N SER A 23 2.976 9.207 -6.258 1.00 0.00 N ATOM 330 CA SER A 23 1.886 10.160 -6.092 1.00 0.00 C ATOM 331 C SER A 23 0.543 9.462 -6.304 1.00 0.00 C ATOM 332 O SER A 23 0.487 8.365 -6.859 1.00 0.00 O ATOM 333 CB SER A 23 2.050 11.312 -7.085 1.00 0.00 C ATOM 334 OG SER A 23 3.287 11.963 -6.885 1.00 0.00 O ATOM 0 H SER A 23 2.830 8.561 -7.034 1.00 0.00 H new ATOM 0 HA SER A 23 1.913 10.562 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.993 10.932 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.234 12.024 -6.964 1.00 0.00 H new ATOM 0 HG SER A 23 3.378 12.697 -7.528 1.00 0.00 H new ATOM 340 N VAL A 24 -0.547 10.098 -5.860 1.00 0.00 N ATOM 341 CA VAL A 24 -1.865 9.471 -5.839 1.00 0.00 C ATOM 342 C VAL A 24 -2.432 9.201 -7.230 1.00 0.00 C ATOM 343 O VAL A 24 -3.319 8.360 -7.370 1.00 0.00 O ATOM 344 CB VAL A 24 -2.857 10.301 -5.004 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.165 11.346 -4.128 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.901 11.023 -5.849 1.00 0.00 C ATOM 0 H VAL A 24 -0.537 11.055 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.726 8.498 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.351 9.560 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.914 11.900 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.484 10.849 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.603 12.035 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.568 11.589 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.403 11.704 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.480 10.293 -6.415 1.00 0.00 H new ATOM 356 N GLU A 25 -1.942 9.892 -8.262 1.00 0.00 N ATOM 357 CA GLU A 25 -2.477 9.721 -9.603 1.00 0.00 C ATOM 358 C GLU A 25 -1.829 8.542 -10.317 1.00 0.00 C ATOM 359 O GLU A 25 -2.453 7.945 -11.192 1.00 0.00 O ATOM 360 CB GLU A 25 -2.244 10.997 -10.412 1.00 0.00 C ATOM 361 CG GLU A 25 -2.972 12.183 -9.779 1.00 0.00 C ATOM 362 CD GLU A 25 -2.814 13.438 -10.635 1.00 0.00 C ATOM 363 OE1 GLU A 25 -3.673 13.645 -11.522 1.00 0.00 O ATOM 364 OE2 GLU A 25 -1.836 14.181 -10.400 1.00 0.00 O ATOM 0 H GLU A 25 -1.182 10.568 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.545 9.520 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.176 11.208 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.594 10.854 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.030 11.947 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.576 12.367 -8.780 1.00 0.00 H new ATOM 371 N ASP A 26 -0.589 8.197 -9.960 1.00 0.00 N ATOM 372 CA ASP A 26 0.099 7.078 -10.585 1.00 0.00 C ATOM 373 C ASP A 26 -0.381 5.765 -9.978 1.00 0.00 C ATOM 374 O ASP A 26 -0.479 4.759 -10.680 1.00 0.00 O ATOM 375 CB ASP A 26 1.605 7.233 -10.378 1.00 0.00 C ATOM 376 CG ASP A 26 2.134 8.474 -11.089 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.300 8.401 -12.326 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.366 9.485 -10.389 1.00 0.00 O ATOM 0 H ASP A 26 -0.047 8.679 -9.243 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.120 7.068 -11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.823 7.300 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.119 6.348 -10.753 1.00 0.00 H new ATOM 383 N VAL A 27 -0.685 5.760 -8.678 1.00 0.00 N ATOM 384 CA VAL A 27 -1.188 4.564 -8.027 1.00 0.00 C ATOM 385 C VAL A 27 -2.579 4.210 -8.549 1.00 0.00 C ATOM 386 O VAL A 27 -2.839 3.042 -8.829 1.00 0.00 O ATOM 387 CB VAL A 27 -1.156 4.747 -6.505 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.044 5.889 -6.026 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.588 3.465 -5.804 1.00 0.00 C ATOM 0 H VAL A 27 -0.590 6.569 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.543 3.719 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.125 4.993 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.980 5.969 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.712 6.823 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.077 5.693 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.559 3.613 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.603 3.208 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.911 2.655 -6.077 1.00 0.00 H new ATOM 399 N GLN A 28 -3.488 5.183 -8.693 1.00 0.00 N ATOM 400 CA GLN A 28 -4.809 4.872 -9.222 1.00 0.00 C ATOM 401 C GLN A 28 -4.765 4.602 -10.726 1.00 0.00 C ATOM 402 O GLN A 28 -5.696 4.009 -11.269 1.00 0.00 O ATOM 403 CB GLN A 28 -5.804 5.982 -8.883 1.00 0.00 C ATOM 404 CG GLN A 28 -5.454 7.306 -9.555 1.00 0.00 C ATOM 405 CD GLN A 28 -6.428 8.393 -9.123 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.340 8.751 -9.863 1.00 0.00 O ATOM 407 NE2 GLN A 28 -6.243 8.928 -7.920 1.00 0.00 N ATOM 0 H GLN A 28 -3.334 6.163 -8.456 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.151 3.955 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.804 5.675 -9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.832 6.123 -7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.436 7.596 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.485 7.191 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.475 8.606 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.869 9.660 -7.586 1.00 0.00 H new ATOM 416 N ASN A 29 -3.695 5.029 -11.408 1.00 0.00 N ATOM 417 CA ASN A 29 -3.498 4.705 -12.813 1.00 0.00 C ATOM 418 C ASN A 29 -3.132 3.228 -12.976 1.00 0.00 C ATOM 419 O ASN A 29 -3.418 2.631 -14.014 1.00 0.00 O ATOM 420 CB ASN A 29 -2.392 5.607 -13.378 1.00 0.00 C ATOM 421 CG ASN A 29 -1.336 4.828 -14.153 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.398 4.714 -15.374 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.359 4.287 -13.431 1.00 0.00 N ATOM 0 H ASN A 29 -2.954 5.601 -11.002 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.423 4.879 -13.364 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.838 6.356 -14.032 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.913 6.144 -12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.378 3.752 -13.890 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.347 4.407 -12.418 1.00 0.00 H new ATOM 430 N PHE A 30 -2.500 2.636 -11.956 1.00 0.00 N ATOM 431 CA PHE A 30 -2.052 1.256 -12.027 1.00 0.00 C ATOM 432 C PHE A 30 -3.191 0.274 -11.766 1.00 0.00 C ATOM 433 O PHE A 30 -3.240 -0.783 -12.394 1.00 0.00 O ATOM 434 CB PHE A 30 -0.930 1.056 -11.013 1.00 0.00 C ATOM 435 CG PHE A 30 -0.575 -0.397 -10.802 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.259 -1.062 -11.710 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.092 -1.083 -9.696 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.560 -2.417 -11.519 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.814 -2.442 -9.517 1.00 0.00 C ATOM 440 CZ PHE A 30 0.019 -3.110 -10.425 1.00 0.00 C ATOM 0 H PHE A 30 -2.291 3.100 -11.072 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.688 1.056 -13.035 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.044 1.595 -11.349 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.227 1.493 -10.060 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.669 -0.531 -12.556 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.708 -0.561 -8.979 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.209 -2.929 -12.214 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.240 -2.976 -8.681 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.244 -4.157 -10.283 1.00 0.00 H new ATOM 450 N LEU A 31 -4.110 0.603 -10.854 1.00 0.00 N ATOM 451 CA LEU A 31 -5.283 -0.219 -10.628 1.00 0.00 C ATOM 452 C LEU A 31 -6.309 0.108 -11.710 1.00 0.00 C ATOM 453 O LEU A 31 -6.112 1.003 -12.532 1.00 0.00 O ATOM 454 CB LEU A 31 -5.873 0.027 -9.228 1.00 0.00 C ATOM 455 CG LEU A 31 -5.023 -0.483 -8.056 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.388 -1.841 -8.341 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.948 0.529 -7.690 1.00 0.00 C ATOM 0 H LEU A 31 -4.057 1.434 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.007 -1.272 -10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.030 1.098 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.853 -0.447 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.700 -0.611 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.798 -2.155 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.170 -2.576 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.741 -1.764 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.357 0.147 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.298 0.696 -8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.417 1.470 -7.401 1.00 0.00 H new ATOM 469 N SER A 32 -7.414 -0.631 -11.699 1.00 0.00 N ATOM 470 CA SER A 32 -8.491 -0.463 -12.664 1.00 0.00 C ATOM 471 C SER A 32 -9.808 -0.933 -12.058 1.00 0.00 C ATOM 472 O SER A 32 -9.810 -1.726 -11.116 1.00 0.00 O ATOM 473 CB SER A 32 -8.168 -1.261 -13.927 1.00 0.00 C ATOM 474 OG SER A 32 -9.129 -0.991 -14.927 1.00 0.00 O ATOM 0 H SER A 32 -7.587 -1.368 -11.015 1.00 0.00 H new ATOM 0 HA SER A 32 -8.588 0.591 -12.925 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.173 -1.000 -14.287 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.156 -2.327 -13.701 1.00 0.00 H new ATOM 0 HG SER A 32 -8.915 -1.504 -15.734 1.00 0.00 H new ATOM 480 N ASP A 33 -10.924 -0.439 -12.607 1.00 0.00 N ATOM 481 CA ASP A 33 -12.276 -0.673 -12.109 1.00 0.00 C ATOM 482 C ASP A 33 -12.438 -0.346 -10.617 1.00 0.00 C ATOM 483 O ASP A 33 -13.481 -0.628 -10.031 1.00 0.00 O ATOM 484 CB ASP A 33 -12.711 -2.104 -12.436 1.00 0.00 C ATOM 485 CG ASP A 33 -12.669 -2.376 -13.939 1.00 0.00 C ATOM 486 OD1 ASP A 33 -13.412 -1.682 -14.670 1.00 0.00 O ATOM 487 OD2 ASP A 33 -11.896 -3.272 -14.345 1.00 0.00 O ATOM 0 H ASP A 33 -10.905 0.153 -13.437 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.940 0.021 -12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.060 -2.810 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.722 -2.272 -12.064 1.00 0.00 H new ATOM 492 N CYS A 34 -11.410 0.246 -10.000 1.00 0.00 N ATOM 493 CA CYS A 34 -11.427 0.675 -8.614 1.00 0.00 C ATOM 494 C CYS A 34 -12.174 2.002 -8.479 1.00 0.00 C ATOM 495 O CYS A 34 -12.651 2.557 -9.470 1.00 0.00 O ATOM 496 CB CYS A 34 -9.976 0.809 -8.144 1.00 0.00 C ATOM 497 SG CYS A 34 -9.067 1.906 -9.263 1.00 0.00 S ATOM 0 H CYS A 34 -10.526 0.441 -10.469 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.948 -0.055 -7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.948 1.206 -7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.501 -0.172 -8.116 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.907 2.187 -8.748 1.00 0.00 H new ATOM 503 N THR A 35 -12.278 2.518 -7.249 1.00 0.00 N ATOM 504 CA THR A 35 -12.968 3.781 -7.001 1.00 0.00 C ATOM 505 C THR A 35 -12.260 4.639 -5.955 1.00 0.00 C ATOM 506 O THR A 35 -12.762 5.685 -5.548 1.00 0.00 O ATOM 507 CB THR A 35 -14.421 3.494 -6.624 1.00 0.00 C ATOM 508 OG1 THR A 35 -15.230 4.613 -6.913 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.536 3.153 -5.150 1.00 0.00 C ATOM 0 H THR A 35 -11.892 2.078 -6.413 1.00 0.00 H new ATOM 0 HA THR A 35 -12.950 4.371 -7.917 1.00 0.00 H new ATOM 0 HB THR A 35 -14.761 2.641 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.786 5.428 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.579 2.952 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.935 2.270 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.177 3.992 -4.553 1.00 0.00 H new ATOM 517 N ILE A 36 -11.086 4.171 -5.535 1.00 0.00 N ATOM 518 CA ILE A 36 -10.228 4.768 -4.523 1.00 0.00 C ATOM 519 C ILE A 36 -10.985 5.255 -3.282 1.00 0.00 C ATOM 520 O ILE A 36 -10.508 6.141 -2.579 1.00 0.00 O ATOM 521 CB ILE A 36 -9.399 5.896 -5.137 1.00 0.00 C ATOM 522 CG1 ILE A 36 -9.155 5.806 -6.648 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.077 5.959 -4.377 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.427 4.536 -7.068 1.00 0.00 C ATOM 0 H ILE A 36 -10.688 3.313 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.565 3.978 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.984 6.810 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.112 5.856 -7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.574 6.671 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.458 6.756 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.272 6.160 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.556 5.007 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.287 4.537 -8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.455 4.494 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.017 3.666 -6.779 1.00 0.00 H new ATOM 536 N HIS A 37 -12.159 4.677 -3.016 1.00 0.00 N ATOM 537 CA HIS A 37 -13.058 5.037 -1.924 1.00 0.00 C ATOM 538 C HIS A 37 -13.615 6.468 -2.019 1.00 0.00 C ATOM 539 O HIS A 37 -14.770 6.687 -1.661 1.00 0.00 O ATOM 540 CB HIS A 37 -12.356 4.760 -0.598 1.00 0.00 C ATOM 541 CG HIS A 37 -13.289 4.807 0.577 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.971 3.745 1.123 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.616 5.916 1.301 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.689 4.212 2.161 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.507 5.536 2.312 1.00 0.00 N ATOM 0 H HIS A 37 -12.522 3.911 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.948 4.412 -1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.883 3.779 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.561 5.491 -0.454 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.939 2.778 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.250 6.917 1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.325 3.605 2.788 1.00 0.00 H new ATOM 553 N ASP A 38 -12.822 7.435 -2.492 1.00 0.00 N ATOM 554 CA ASP A 38 -13.262 8.803 -2.757 1.00 0.00 C ATOM 555 C ASP A 38 -12.425 9.460 -3.861 1.00 0.00 C ATOM 556 O ASP A 38 -12.701 10.599 -4.232 1.00 0.00 O ATOM 557 CB ASP A 38 -13.131 9.665 -1.496 1.00 0.00 C ATOM 558 CG ASP A 38 -14.227 9.399 -0.467 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.414 9.493 -0.852 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.870 9.105 0.694 1.00 0.00 O ATOM 0 H ASP A 38 -11.836 7.282 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.303 8.742 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.159 9.481 -1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.156 10.717 -1.779 1.00 0.00 H new ATOM 565 N GLY A 39 -11.411 8.770 -4.395 1.00 0.00 N ATOM 566 CA GLY A 39 -10.489 9.363 -5.349 1.00 0.00 C ATOM 567 C GLY A 39 -9.188 9.704 -4.632 1.00 0.00 C ATOM 568 O GLY A 39 -8.692 8.918 -3.828 1.00 0.00 O ATOM 0 H GLY A 39 -11.214 7.794 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.297 8.670 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.925 10.261 -5.786 1.00 0.00 H new ATOM 572 N ALA A 40 -8.636 10.883 -4.924 1.00 0.00 N ATOM 573 CA ALA A 40 -7.453 11.400 -4.247 1.00 0.00 C ATOM 574 C ALA A 40 -7.673 11.569 -2.737 1.00 0.00 C ATOM 575 O ALA A 40 -6.765 11.998 -2.027 1.00 0.00 O ATOM 576 CB ALA A 40 -7.076 12.735 -4.888 1.00 0.00 C ATOM 0 H ALA A 40 -9.002 11.508 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.643 10.680 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.192 13.139 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.864 12.583 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.903 13.437 -4.781 1.00 0.00 H new ATOM 582 N ALA A 41 -8.871 11.234 -2.245 1.00 0.00 N ATOM 583 CA ALA A 41 -9.237 11.330 -0.840 1.00 0.00 C ATOM 584 C ALA A 41 -9.275 9.952 -0.175 1.00 0.00 C ATOM 585 O ALA A 41 -9.853 9.800 0.902 1.00 0.00 O ATOM 586 CB ALA A 41 -10.575 12.057 -0.727 1.00 0.00 C ATOM 0 H ALA A 41 -9.626 10.881 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.478 11.902 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.859 12.135 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.483 13.056 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.339 11.500 -1.270 1.00 0.00 H new ATOM 592 N GLY A 42 -8.661 8.951 -0.812 1.00 0.00 N ATOM 593 CA GLY A 42 -8.579 7.600 -0.271 1.00 0.00 C ATOM 594 C GLY A 42 -7.172 7.020 -0.406 1.00 0.00 C ATOM 595 O GLY A 42 -6.946 5.865 -0.052 1.00 0.00 O ATOM 0 H GLY A 42 -8.207 9.059 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.869 7.611 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.289 6.957 -0.791 1.00 0.00 H new ATOM 599 N VAL A 43 -6.223 7.814 -0.915 1.00 0.00 N ATOM 600 CA VAL A 43 -4.831 7.397 -1.014 1.00 0.00 C ATOM 601 C VAL A 43 -4.187 7.444 0.373 1.00 0.00 C ATOM 602 O VAL A 43 -4.665 8.152 1.258 1.00 0.00 O ATOM 603 CB VAL A 43 -4.079 8.319 -1.988 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.754 9.658 -1.324 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.790 7.640 -2.454 1.00 0.00 C ATOM 0 H VAL A 43 -6.402 8.755 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.780 6.377 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.719 8.509 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.222 10.295 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.679 10.147 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.129 9.487 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.261 8.298 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.156 7.433 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.033 6.705 -2.959 1.00 0.00 H new ATOM 615 N HIS A 44 -3.099 6.693 0.563 1.00 0.00 N ATOM 616 CA HIS A 44 -2.298 6.730 1.778 1.00 0.00 C ATOM 617 C HIS A 44 -0.852 6.382 1.435 1.00 0.00 C ATOM 618 O HIS A 44 -0.592 5.820 0.375 1.00 0.00 O ATOM 619 CB HIS A 44 -2.827 5.721 2.796 1.00 0.00 C ATOM 620 CG HIS A 44 -4.133 6.118 3.429 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.308 7.050 4.427 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.370 5.619 3.123 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.620 7.105 4.712 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.314 6.249 3.942 1.00 0.00 N ATOM 0 H HIS A 44 -2.750 6.036 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.354 7.730 2.208 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.952 4.756 2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.081 5.586 3.580 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.582 4.867 2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.058 7.750 5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.322 6.091 3.953 1.00 0.00 H new ATOM 632 N PHE A 45 0.087 6.713 2.326 1.00 0.00 N ATOM 633 CA PHE A 45 1.506 6.466 2.110 1.00 0.00 C ATOM 634 C PHE A 45 2.199 6.131 3.428 1.00 0.00 C ATOM 635 O PHE A 45 1.586 6.209 4.492 1.00 0.00 O ATOM 636 CB PHE A 45 2.133 7.691 1.443 1.00 0.00 C ATOM 637 CG PHE A 45 1.662 7.867 0.016 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.154 7.017 -0.984 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.734 8.866 -0.311 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.699 7.144 -2.305 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.280 8.994 -1.631 1.00 0.00 C ATOM 642 CZ PHE A 45 0.755 8.127 -2.626 1.00 0.00 C ATOM 0 H PHE A 45 -0.121 7.161 3.218 1.00 0.00 H new ATOM 0 HA PHE A 45 1.632 5.607 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.885 8.583 2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.219 7.594 1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.886 6.262 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.369 9.536 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.076 6.485 -3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.437 9.762 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.393 8.218 -3.639 1.00 0.00 H new ATOM 652 N ILE A 46 3.480 5.759 3.357 1.00 0.00 N ATOM 653 CA ILE A 46 4.228 5.295 4.517 1.00 0.00 C ATOM 654 C ILE A 46 5.612 5.941 4.533 1.00 0.00 C ATOM 655 O ILE A 46 6.223 6.143 3.483 1.00 0.00 O ATOM 656 CB ILE A 46 4.330 3.765 4.482 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.956 3.162 4.160 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.836 3.244 5.832 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.000 1.641 4.123 1.00 0.00 C ATOM 0 H ILE A 46 4.022 5.773 2.493 1.00 0.00 H new ATOM 0 HA ILE A 46 3.709 5.584 5.431 1.00 0.00 H new ATOM 0 HB ILE A 46 5.036 3.469 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.233 3.486 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.610 3.539 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.906 2.157 5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.820 3.665 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.142 3.540 6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.008 1.254 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.704 1.316 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.320 1.263 5.094 1.00 0.00 H new ATOM 826 N ALA A 57 2.556 2.225 0.331 1.00 0.00 N ATOM 827 CA ALA A 57 1.262 2.875 0.438 1.00 0.00 C ATOM 828 C ALA A 57 0.126 1.889 0.694 1.00 0.00 C ATOM 829 O ALA A 57 0.328 0.683 0.816 1.00 0.00 O ATOM 830 CB ALA A 57 1.016 3.595 -0.891 1.00 0.00 C ATOM 0 HA ALA A 57 1.277 3.559 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.051 4.100 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.804 4.329 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.018 2.869 -1.704 1.00 0.00 H new ATOM 836 N PHE A 58 -1.086 2.446 0.771 1.00 0.00 N ATOM 837 CA PHE A 58 -2.332 1.699 0.827 1.00 0.00 C ATOM 838 C PHE A 58 -3.353 2.413 -0.049 1.00 0.00 C ATOM 839 O PHE A 58 -3.187 3.588 -0.375 1.00 0.00 O ATOM 840 CB PHE A 58 -2.861 1.625 2.260 1.00 0.00 C ATOM 841 CG PHE A 58 -1.896 1.030 3.255 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.834 -0.358 3.441 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.064 1.878 3.995 1.00 0.00 C ATOM 844 CE1 PHE A 58 -0.921 -0.898 4.357 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.164 1.341 4.921 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.075 -0.049 5.084 1.00 0.00 C ATOM 0 H PHE A 58 -1.224 3.456 0.796 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.159 0.682 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.127 2.630 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.778 1.035 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.488 -1.009 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.117 2.947 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.869 -1.967 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.461 1.996 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.647 -0.466 5.771 1.00 0.00 H new ATOM 856 N VAL A 59 -4.412 1.700 -0.431 1.00 0.00 N ATOM 857 CA VAL A 59 -5.457 2.251 -1.276 1.00 0.00 C ATOM 858 C VAL A 59 -6.802 1.709 -0.816 1.00 0.00 C ATOM 859 O VAL A 59 -7.088 0.524 -0.980 1.00 0.00 O ATOM 860 CB VAL A 59 -5.204 1.872 -2.742 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.277 2.492 -3.634 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.842 2.376 -3.222 1.00 0.00 C ATOM 0 H VAL A 59 -4.564 0.728 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.457 3.338 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.229 0.784 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.090 2.218 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.258 2.124 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.250 3.577 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.695 2.091 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.804 3.462 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.055 1.935 -2.610 1.00 0.00 H new ATOM 872 N GLU A 60 -7.634 2.578 -0.238 1.00 0.00 N ATOM 873 CA GLU A 60 -8.988 2.188 0.117 1.00 0.00 C ATOM 874 C GLU A 60 -9.829 2.118 -1.151 1.00 0.00 C ATOM 875 O GLU A 60 -9.531 2.792 -2.135 1.00 0.00 O ATOM 876 CB GLU A 60 -9.604 3.199 1.086 1.00 0.00 C ATOM 877 CG GLU A 60 -8.836 3.250 2.406 1.00 0.00 C ATOM 878 CD GLU A 60 -9.646 4.010 3.454 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.590 5.260 3.444 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.319 3.328 4.259 1.00 0.00 O ATOM 0 H GLU A 60 -7.393 3.543 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.963 1.214 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.608 4.188 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.643 2.933 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.631 2.238 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.872 3.737 2.257 1.00 0.00 H new ATOM 887 N LEU A 61 -10.883 1.301 -1.129 1.00 0.00 N ATOM 888 CA LEU A 61 -11.787 1.163 -2.262 1.00 0.00 C ATOM 889 C LEU A 61 -13.234 1.263 -1.784 1.00 0.00 C ATOM 890 O LEU A 61 -13.485 1.536 -0.611 1.00 0.00 O ATOM 891 CB LEU A 61 -11.568 -0.187 -2.947 1.00 0.00 C ATOM 892 CG LEU A 61 -10.084 -0.497 -3.180 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.912 -1.982 -3.458 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.561 0.284 -4.385 1.00 0.00 C ATOM 0 H LEU A 61 -11.130 0.721 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.584 1.963 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.008 -0.975 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.091 -0.194 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.527 -0.210 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.857 -2.201 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.273 -2.556 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.483 -2.254 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.507 0.054 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.126 0.003 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.676 1.353 -4.204 1.00 0.00 H new ATOM 906 N GLY A 62 -14.192 1.043 -2.690 1.00 0.00 N ATOM 907 CA GLY A 62 -15.595 1.211 -2.362 1.00 0.00 C ATOM 908 C GLY A 62 -16.343 -0.100 -2.123 1.00 0.00 C ATOM 909 O GLY A 62 -17.347 -0.092 -1.413 1.00 0.00 O ATOM 0 H GLY A 62 -14.014 0.749 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.676 1.831 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.084 1.753 -3.172 1.00 0.00 H new ATOM 913 N SER A 63 -15.879 -1.217 -2.691 1.00 0.00 N ATOM 914 CA SER A 63 -16.580 -2.489 -2.530 1.00 0.00 C ATOM 915 C SER A 63 -15.625 -3.678 -2.528 1.00 0.00 C ATOM 916 O SER A 63 -14.462 -3.558 -2.911 1.00 0.00 O ATOM 917 CB SER A 63 -17.586 -2.666 -3.670 1.00 0.00 C ATOM 918 OG SER A 63 -18.523 -1.609 -3.687 1.00 0.00 O ATOM 0 H SER A 63 -15.033 -1.265 -3.258 1.00 0.00 H new ATOM 0 HA SER A 63 -17.087 -2.461 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.058 -2.704 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.107 -3.617 -3.556 1.00 0.00 H new ATOM 0 HG SER A 63 -19.154 -1.743 -4.425 1.00 0.00 H new ATOM 924 N GLU A 64 -16.130 -4.837 -2.092 1.00 0.00 N ATOM 925 CA GLU A 64 -15.376 -6.083 -2.089 1.00 0.00 C ATOM 926 C GLU A 64 -14.944 -6.449 -3.506 1.00 0.00 C ATOM 927 O GLU A 64 -13.905 -7.076 -3.699 1.00 0.00 O ATOM 928 CB GLU A 64 -16.266 -7.190 -1.519 1.00 0.00 C ATOM 929 CG GLU A 64 -15.568 -8.550 -1.577 1.00 0.00 C ATOM 930 CD GLU A 64 -16.433 -9.628 -0.928 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.265 -10.215 -1.656 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.255 -9.858 0.289 1.00 0.00 O ATOM 0 H GLU A 64 -17.079 -4.931 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.482 -5.965 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.525 -6.956 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.200 -7.234 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.364 -8.816 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.606 -8.493 -1.068 1.00 0.00 H new ATOM 939 N ASP A 65 -15.731 -6.065 -4.509 1.00 0.00 N ATOM 940 CA ASP A 65 -15.376 -6.383 -5.878 1.00 0.00 C ATOM 941 C ASP A 65 -14.128 -5.605 -6.294 1.00 0.00 C ATOM 942 O ASP A 65 -13.360 -6.070 -7.133 1.00 0.00 O ATOM 943 CB ASP A 65 -16.563 -6.058 -6.786 1.00 0.00 C ATOM 944 CG ASP A 65 -16.346 -6.564 -8.211 1.00 0.00 C ATOM 945 OD1 ASP A 65 -15.962 -7.746 -8.356 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.568 -5.762 -9.145 1.00 0.00 O ATOM 0 H ASP A 65 -16.601 -5.544 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.145 -7.445 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.468 -6.507 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.722 -4.980 -6.804 1.00 0.00 H new ATOM 951 N ASP A 66 -13.916 -4.418 -5.713 1.00 0.00 N ATOM 952 CA ASP A 66 -12.776 -3.586 -6.054 1.00 0.00 C ATOM 953 C ASP A 66 -11.498 -4.172 -5.463 1.00 0.00 C ATOM 954 O ASP A 66 -10.463 -4.180 -6.127 1.00 0.00 O ATOM 955 CB ASP A 66 -12.985 -2.180 -5.491 1.00 0.00 C ATOM 956 CG ASP A 66 -14.242 -1.485 -6.012 1.00 0.00 C ATOM 957 OD1 ASP A 66 -14.778 -1.929 -7.052 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.651 -0.504 -5.353 1.00 0.00 O ATOM 0 H ASP A 66 -14.528 -4.018 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.684 -3.545 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.038 -2.239 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.116 -1.569 -5.735 1.00 0.00 H new ATOM 963 N VAL A 67 -11.556 -4.666 -4.219 1.00 0.00 N ATOM 964 CA VAL A 67 -10.378 -5.234 -3.577 1.00 0.00 C ATOM 965 C VAL A 67 -9.980 -6.512 -4.293 1.00 0.00 C ATOM 966 O VAL A 67 -8.794 -6.755 -4.491 1.00 0.00 O ATOM 967 CB VAL A 67 -10.605 -5.449 -2.070 1.00 0.00 C ATOM 968 CG1 VAL A 67 -11.999 -5.952 -1.723 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.605 -6.435 -1.473 1.00 0.00 C ATOM 0 H VAL A 67 -12.401 -4.681 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.551 -4.529 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.471 -4.455 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.082 -6.079 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.741 -5.229 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.174 -6.909 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.804 -6.555 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.703 -7.399 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.593 -6.056 -1.612 1.00 0.00 H new ATOM 979 N LYS A 68 -10.951 -7.335 -4.687 1.00 0.00 N ATOM 980 CA LYS A 68 -10.656 -8.549 -5.425 1.00 0.00 C ATOM 981 C LYS A 68 -9.980 -8.205 -6.752 1.00 0.00 C ATOM 982 O LYS A 68 -9.004 -8.848 -7.132 1.00 0.00 O ATOM 983 CB LYS A 68 -11.967 -9.309 -5.630 1.00 0.00 C ATOM 984 CG LYS A 68 -12.451 -9.855 -4.284 1.00 0.00 C ATOM 985 CD LYS A 68 -13.896 -10.352 -4.359 1.00 0.00 C ATOM 986 CE LYS A 68 -14.088 -11.463 -5.390 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.325 -12.676 -5.034 1.00 0.00 N ATOM 0 H LYS A 68 -11.943 -7.179 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.963 -9.182 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.720 -8.649 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.820 -10.127 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.802 -10.672 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.374 -9.075 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.201 -10.716 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.550 -9.516 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.147 -11.709 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.771 -11.108 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.546 -13.436 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.307 -12.468 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.585 -12.980 -4.074 1.00 0.00 H new ATOM 1001 N MET A 69 -10.495 -7.192 -7.457 1.00 0.00 N ATOM 1002 CA MET A 69 -9.939 -6.776 -8.737 1.00 0.00 C ATOM 1003 C MET A 69 -8.542 -6.175 -8.585 1.00 0.00 C ATOM 1004 O MET A 69 -7.732 -6.285 -9.502 1.00 0.00 O ATOM 1005 CB MET A 69 -10.875 -5.759 -9.393 1.00 0.00 C ATOM 1006 CG MET A 69 -12.074 -6.470 -10.022 1.00 0.00 C ATOM 1007 SD MET A 69 -13.136 -5.402 -11.033 1.00 0.00 S ATOM 1008 CE MET A 69 -13.648 -4.182 -9.795 1.00 0.00 C ATOM 0 H MET A 69 -11.302 -6.645 -7.155 1.00 0.00 H new ATOM 0 HA MET A 69 -9.848 -7.661 -9.367 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.219 -5.039 -8.650 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.336 -5.197 -10.156 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.710 -7.290 -10.641 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.676 -6.912 -9.228 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.364 -3.491 -10.240 1.00 0.00 H new ATOM 0 HE2 MET A 69 -14.112 -4.693 -8.951 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.776 -3.627 -9.449 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.245 -5.544 -7.446 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.933 -4.954 -7.217 1.00 0.00 C ATOM 1020 C ALA A 70 -5.871 -6.031 -6.985 1.00 0.00 C ATOM 1021 O ALA A 70 -4.698 -5.820 -7.293 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.019 -4.020 -6.012 1.00 0.00 C ATOM 0 H ALA A 70 -8.898 -5.431 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.636 -4.392 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.043 -3.571 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.748 -3.235 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.328 -4.587 -5.134 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.274 -7.183 -6.445 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.373 -8.296 -6.182 1.00 0.00 C ATOM 1030 C LEU A 71 -5.046 -9.076 -7.456 1.00 0.00 C ATOM 1031 O LEU A 71 -4.076 -9.829 -7.481 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.024 -9.210 -5.144 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.247 -8.447 -3.835 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.121 -9.262 -2.891 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.924 -8.130 -3.152 1.00 0.00 C ATOM 0 H LEU A 71 -7.241 -7.366 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.429 -7.906 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.976 -9.583 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.390 -10.078 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.748 -7.510 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.271 -8.708 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.086 -9.452 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.632 -10.211 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.114 -7.588 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.398 -9.058 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.311 -7.516 -3.812 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.845 -8.905 -8.514 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.595 -9.560 -9.799 1.00 0.00 C ATOM 1049 C LYS A 72 -4.316 -9.088 -10.497 1.00 0.00 C ATOM 1050 O LYS A 72 -3.950 -9.652 -11.528 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.771 -9.331 -10.747 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.089 -9.863 -10.185 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.020 -11.363 -9.890 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.324 -11.800 -9.229 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.330 -13.252 -8.970 1.00 0.00 N ATOM 0 H LYS A 72 -6.676 -8.314 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.472 -10.618 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.870 -8.264 -10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.564 -9.816 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.337 -9.324 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.891 -9.670 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.860 -11.921 -10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.175 -11.580 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.458 -11.260 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.165 -11.539 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.228 -13.521 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.225 -13.765 -9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.540 -13.495 -8.338 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.633 -8.071 -9.963 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.412 -7.536 -10.559 1.00 0.00 C ATOM 1071 C LYS A 73 -1.349 -7.304 -9.491 1.00 0.00 C ATOM 1072 O LYS A 73 -0.497 -6.428 -9.622 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.711 -6.265 -11.355 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.242 -5.135 -10.479 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.767 -5.137 -10.380 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.398 -4.819 -11.739 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.869 -4.766 -11.647 1.00 0.00 N ATOM 0 H LYS A 73 -3.914 -7.597 -9.105 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.014 -8.270 -11.259 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.802 -5.934 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.441 -6.491 -12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.816 -5.224 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.909 -4.179 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.113 -6.110 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.090 -4.402 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.020 -3.864 -12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.104 -5.577 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.283 -4.990 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.198 -5.459 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.165 -3.812 -11.357 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.426 -8.114 -8.437 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.553 -8.096 -7.270 1.00 0.00 C ATOM 1093 C ASP A 74 0.953 -7.963 -7.532 1.00 0.00 C ATOM 1094 O ASP A 74 1.693 -7.724 -6.579 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.832 -9.353 -6.450 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.385 -10.612 -7.190 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.177 -11.105 -8.026 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.743 -11.075 -6.916 1.00 0.00 O ATOM 0 H ASP A 74 -2.140 -8.840 -8.373 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.798 -7.177 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.313 -9.288 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.898 -9.417 -6.231 1.00 0.00 H new ATOM 1103 N ARG A 75 1.431 -8.109 -8.774 1.00 0.00 N ATOM 1104 CA ARG A 75 2.848 -7.956 -9.078 1.00 0.00 C ATOM 1105 C ARG A 75 3.097 -7.427 -10.497 1.00 0.00 C ATOM 1106 O ARG A 75 4.182 -7.622 -11.043 1.00 0.00 O ATOM 1107 CB ARG A 75 3.518 -9.310 -8.856 1.00 0.00 C ATOM 1108 CG ARG A 75 5.014 -9.167 -8.591 1.00 0.00 C ATOM 1109 CD ARG A 75 5.546 -10.553 -8.251 1.00 0.00 C ATOM 1110 NE ARG A 75 5.594 -11.417 -9.435 1.00 0.00 N ATOM 1111 CZ ARG A 75 5.915 -12.713 -9.400 1.00 0.00 C ATOM 1112 NH1 ARG A 75 6.225 -13.306 -8.248 1.00 0.00 N ATOM 1113 NH2 ARG A 75 5.928 -13.426 -10.524 1.00 0.00 N ATOM 0 H ARG A 75 0.851 -8.333 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 75 3.279 -7.205 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.046 -9.815 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.363 -9.940 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.523 -8.764 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.195 -8.473 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.545 -10.465 -7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.912 -11.011 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 75 5.369 -11.003 -10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.219 -12.770 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.469 -14.296 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.693 -12.983 -11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.173 -14.416 -10.497 1.00 0.00 H new ATOM 1127 N GLU A 76 2.113 -6.758 -11.109 1.00 0.00 N ATOM 1128 CA GLU A 76 2.271 -6.209 -12.453 1.00 0.00 C ATOM 1129 C GLU A 76 3.246 -5.031 -12.484 1.00 0.00 C ATOM 1130 O GLU A 76 3.964 -4.767 -11.520 1.00 0.00 O ATOM 1131 CB GLU A 76 0.922 -5.790 -13.042 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.002 -6.991 -13.180 1.00 0.00 C ATOM 1133 CD GLU A 76 0.657 -8.152 -13.924 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.982 -7.964 -15.117 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.830 -9.218 -13.292 1.00 0.00 O ATOM 0 H GLU A 76 1.199 -6.586 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 76 2.691 -7.006 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.458 -5.040 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.073 -5.328 -14.017 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.309 -7.326 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.907 -6.691 -13.709 1.00 0.00 H new ATOM 1142 N SER A 77 3.260 -4.322 -13.615 1.00 0.00 N ATOM 1143 CA SER A 77 4.239 -3.282 -13.900 1.00 0.00 C ATOM 1144 C SER A 77 3.600 -2.065 -14.571 1.00 0.00 C ATOM 1145 O SER A 77 2.415 -2.084 -14.903 1.00 0.00 O ATOM 1146 CB SER A 77 5.313 -3.870 -14.818 1.00 0.00 C ATOM 1147 OG SER A 77 5.978 -4.936 -14.174 1.00 0.00 O ATOM 0 H SER A 77 2.582 -4.459 -14.365 1.00 0.00 H new ATOM 0 HA SER A 77 4.672 -2.944 -12.959 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.857 -4.223 -15.743 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.031 -3.097 -15.091 1.00 0.00 H new ATOM 0 HG SER A 77 6.661 -5.304 -14.772 1.00 0.00 H new ATOM 1153 N MET A 78 4.396 -1.007 -14.768 1.00 0.00 N ATOM 1154 CA MET A 78 3.947 0.211 -15.434 1.00 0.00 C ATOM 1155 C MET A 78 4.610 0.381 -16.803 1.00 0.00 C ATOM 1156 O MET A 78 4.156 1.202 -17.600 1.00 0.00 O ATOM 1157 CB MET A 78 4.252 1.434 -14.562 1.00 0.00 C ATOM 1158 CG MET A 78 3.322 1.545 -13.351 1.00 0.00 C ATOM 1159 SD MET A 78 3.654 3.027 -12.355 1.00 0.00 S ATOM 1160 CE MET A 78 2.268 2.973 -11.190 1.00 0.00 C ATOM 0 H MET A 78 5.370 -0.976 -14.468 1.00 0.00 H new ATOM 0 HA MET A 78 2.871 0.126 -15.584 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.285 1.381 -14.218 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.164 2.337 -15.166 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.287 1.564 -13.692 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.435 0.659 -12.727 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.442 3.686 -10.384 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.345 3.231 -11.710 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.181 1.969 -10.774 1.00 0.00 H new ATOM 1170 N GLY A 79 5.672 -0.381 -17.091 1.00 0.00 N ATOM 1171 CA GLY A 79 6.313 -0.357 -18.402 1.00 0.00 C ATOM 1172 C GLY A 79 7.837 -0.459 -18.335 1.00 0.00 C ATOM 1173 O GLY A 79 8.463 -0.878 -19.307 1.00 0.00 O ATOM 0 H GLY A 79 6.104 -1.023 -16.427 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.927 -1.181 -19.002 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.040 0.565 -18.915 1.00 0.00 H new ATOM 1177 N HIS A 80 8.439 -0.082 -17.202 1.00 0.00 N ATOM 1178 CA HIS A 80 9.888 -0.126 -17.028 1.00 0.00 C ATOM 1179 C HIS A 80 10.265 -0.381 -15.565 1.00 0.00 C ATOM 1180 O HIS A 80 11.442 -0.369 -15.205 1.00 0.00 O ATOM 1181 CB HIS A 80 10.476 1.198 -17.525 1.00 0.00 C ATOM 1182 CG HIS A 80 11.981 1.201 -17.593 1.00 0.00 C ATOM 1183 ND1 HIS A 80 12.821 2.163 -17.082 1.00 0.00 N ATOM 1184 CD2 HIS A 80 12.768 0.245 -18.177 1.00 0.00 C ATOM 1185 CE1 HIS A 80 14.084 1.789 -17.355 1.00 0.00 C ATOM 1186 NE2 HIS A 80 14.106 0.624 -18.023 1.00 0.00 N ATOM 0 H HIS A 80 7.934 0.261 -16.385 1.00 0.00 H new ATOM 0 HA HIS A 80 10.299 -0.952 -17.608 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.075 1.415 -18.515 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.149 2.002 -16.865 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.416 -0.648 -18.672 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.963 2.350 -17.075 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.929 0.119 -18.351 1.00 0.00 H new ATOM 1194 N ARG A 81 9.258 -0.614 -14.719 1.00 0.00 N ATOM 1195 CA ARG A 81 9.413 -0.857 -13.292 1.00 0.00 C ATOM 1196 C ARG A 81 8.202 -1.659 -12.828 1.00 0.00 C ATOM 1197 O ARG A 81 7.200 -1.697 -13.542 1.00 0.00 O ATOM 1198 CB ARG A 81 9.473 0.495 -12.582 1.00 0.00 C ATOM 1199 CG ARG A 81 9.909 0.345 -11.124 1.00 0.00 C ATOM 1200 CD ARG A 81 9.757 1.679 -10.403 1.00 0.00 C ATOM 1201 NE ARG A 81 8.344 2.077 -10.361 1.00 0.00 N ATOM 1202 CZ ARG A 81 7.821 3.106 -11.037 1.00 0.00 C ATOM 1203 NH1 ARG A 81 8.574 3.860 -11.833 1.00 0.00 N ATOM 1204 NH2 ARG A 81 6.526 3.388 -10.917 1.00 0.00 N ATOM 0 H ARG A 81 8.285 -0.638 -15.023 1.00 0.00 H new ATOM 0 HA ARG A 81 10.324 -1.413 -13.069 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.169 1.151 -13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.494 0.972 -12.623 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.306 -0.417 -10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.945 0.011 -11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.150 1.599 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.343 2.444 -10.912 1.00 0.00 H new ATOM 0 HE ARG A 81 7.716 1.529 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.568 3.658 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.157 4.640 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.934 2.820 -10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.125 4.172 -11.431 1.00 0.00 H new ATOM 1218 N TYR A 82 8.272 -2.297 -11.656 1.00 0.00 N ATOM 1219 CA TYR A 82 7.170 -3.133 -11.211 1.00 0.00 C ATOM 1220 C TYR A 82 6.530 -2.651 -9.917 1.00 0.00 C ATOM 1221 O TYR A 82 7.083 -1.836 -9.177 1.00 0.00 O ATOM 1222 CB TYR A 82 7.539 -4.619 -11.281 1.00 0.00 C ATOM 1223 CG TYR A 82 8.090 -5.307 -10.051 1.00 0.00 C ATOM 1224 CD1 TYR A 82 9.452 -5.223 -9.711 1.00 0.00 C ATOM 1225 CD2 TYR A 82 7.212 -6.060 -9.256 1.00 0.00 C ATOM 1226 CE1 TYR A 82 9.940 -5.958 -8.623 1.00 0.00 C ATOM 1227 CE2 TYR A 82 7.691 -6.769 -8.147 1.00 0.00 C ATOM 1228 CZ TYR A 82 9.065 -6.738 -7.840 1.00 0.00 C ATOM 1229 OH TYR A 82 9.546 -7.459 -6.788 1.00 0.00 O ATOM 0 H TYR A 82 9.064 -2.249 -11.015 1.00 0.00 H new ATOM 0 HA TYR A 82 6.348 -3.023 -11.919 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.646 -5.164 -11.588 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.273 -4.736 -12.078 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.118 -4.596 -10.285 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.161 -6.093 -9.501 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.992 -5.927 -8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.010 -7.337 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 82 8.935 -7.374 -6.026 1.00 0.00 H new ATOM 1239 N ILE A 83 5.336 -3.177 -9.659 1.00 0.00 N ATOM 1240 CA ILE A 83 4.461 -2.708 -8.605 1.00 0.00 C ATOM 1241 C ILE A 83 3.976 -3.927 -7.832 1.00 0.00 C ATOM 1242 O ILE A 83 4.122 -5.054 -8.300 1.00 0.00 O ATOM 1243 CB ILE A 83 3.276 -1.949 -9.231 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.687 -1.031 -10.395 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.537 -1.130 -8.171 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.592 0.132 -9.989 1.00 0.00 C ATOM 0 H ILE A 83 4.948 -3.956 -10.191 1.00 0.00 H new ATOM 0 HA ILE A 83 4.981 -2.028 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 83 2.615 -2.713 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.199 -1.628 -11.150 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.787 -0.630 -10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.704 -0.602 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.158 -1.796 -7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.222 -0.408 -7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.834 0.729 -10.868 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.077 0.755 -9.258 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.511 -0.258 -9.551 1.00 0.00 H new ATOM 1258 N GLU A 84 3.400 -3.715 -6.651 1.00 0.00 N ATOM 1259 CA GLU A 84 2.933 -4.810 -5.823 1.00 0.00 C ATOM 1260 C GLU A 84 1.642 -4.425 -5.110 1.00 0.00 C ATOM 1261 O GLU A 84 1.432 -3.258 -4.781 1.00 0.00 O ATOM 1262 CB GLU A 84 4.027 -5.157 -4.814 1.00 0.00 C ATOM 1263 CG GLU A 84 4.886 -6.304 -5.341 1.00 0.00 C ATOM 1264 CD GLU A 84 5.909 -6.747 -4.298 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.495 -7.001 -3.143 1.00 0.00 O ATOM 1266 OE2 GLU A 84 7.100 -6.828 -4.665 1.00 0.00 O ATOM 0 H GLU A 84 3.248 -2.790 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 84 2.720 -5.680 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.650 -4.282 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.578 -5.438 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.249 -7.146 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.400 -5.990 -6.249 1.00 0.00 H new ATOM 1273 N VAL A 85 0.779 -5.418 -4.875 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.505 -5.216 -4.212 1.00 0.00 C ATOM 1275 C VAL A 85 -0.777 -6.401 -3.296 1.00 0.00 C ATOM 1276 O VAL A 85 -0.280 -7.501 -3.531 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.652 -5.116 -5.230 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.861 -4.405 -4.621 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.250 -4.365 -6.495 1.00 0.00 C ATOM 0 H VAL A 85 0.956 -6.387 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.456 -4.284 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.904 -6.143 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.659 -4.347 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.211 -4.962 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.575 -3.399 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.098 -4.324 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.945 -3.351 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.420 -4.882 -6.977 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.568 -6.173 -2.249 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.941 -7.217 -1.309 1.00 0.00 C ATOM 1291 C PHE A 86 -3.216 -6.798 -0.587 1.00 0.00 C ATOM 1292 O PHE A 86 -3.582 -5.627 -0.615 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.786 -7.421 -0.332 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.828 -8.697 0.475 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.297 -9.884 -0.046 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -1.393 -8.691 1.754 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.323 -11.058 0.721 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.420 -9.860 2.525 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.885 -11.046 2.006 1.00 0.00 C ATOM 0 H PHE A 86 -1.966 -5.259 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.135 -8.159 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.148 -7.398 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.764 -6.577 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.132 -9.895 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.812 -7.778 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.090 -11.972 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.851 -9.847 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.905 -11.951 2.595 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.904 -7.737 0.062 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.175 -7.441 0.697 1.00 0.00 C ATOM 1311 C LYS A 87 -4.966 -6.751 2.043 1.00 0.00 C ATOM 1312 O LYS A 87 -3.922 -6.906 2.671 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.948 -8.751 0.830 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.431 -8.470 1.035 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.214 -9.782 1.033 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.706 -9.491 1.166 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.492 -10.737 1.121 1.00 0.00 N ATOM 0 H LYS A 87 -3.598 -8.705 0.158 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.753 -6.744 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.806 -9.358 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.560 -9.327 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.584 -7.947 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.799 -7.816 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.021 -10.330 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.883 -10.416 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.897 -8.970 2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.024 -8.827 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.503 -10.513 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.326 -11.220 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.202 -11.359 1.903 1.00 0.00 H new ATOM 1331 N SER A 88 -5.961 -5.984 2.491 1.00 0.00 N ATOM 1332 CA SER A 88 -5.890 -5.245 3.744 1.00 0.00 C ATOM 1333 C SER A 88 -7.255 -5.205 4.432 1.00 0.00 C ATOM 1334 O SER A 88 -8.240 -5.716 3.900 1.00 0.00 O ATOM 1335 CB SER A 88 -5.365 -3.836 3.469 1.00 0.00 C ATOM 1336 OG SER A 88 -5.162 -3.142 4.681 1.00 0.00 O ATOM 0 H SER A 88 -6.841 -5.860 1.990 1.00 0.00 H new ATOM 0 HA SER A 88 -5.203 -5.751 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.429 -3.892 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.074 -3.292 2.845 1.00 0.00 H new ATOM 0 HG SER A 88 -4.824 -2.242 4.490 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.310 -4.595 5.620 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.494 -4.600 6.468 1.00 0.00 C ATOM 1344 C HIS A 89 -8.559 -3.370 7.382 1.00 0.00 C ATOM 1345 O HIS A 89 -9.332 -3.362 8.338 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.469 -5.884 7.300 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.153 -6.093 8.002 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.847 -5.742 9.297 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.033 -6.667 7.464 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.563 -6.080 9.519 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -5.023 -6.657 8.432 1.00 0.00 N ATOM 0 H HIS A 89 -6.524 -4.081 6.019 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.383 -4.562 5.838 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.269 -5.849 8.039 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.670 -6.737 6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.944 -7.061 6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.037 -5.910 10.447 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.073 -7.014 8.333 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.752 -2.341 7.088 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.720 -1.041 7.766 1.00 0.00 C ATOM 1361 C ARG A 90 -7.058 -1.074 9.142 1.00 0.00 C ATOM 1362 O ARG A 90 -6.412 -0.098 9.517 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.118 -0.426 7.907 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.711 -0.069 6.548 1.00 0.00 C ATOM 1365 CD ARG A 90 -11.059 0.623 6.742 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.571 1.139 5.466 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.631 0.661 4.810 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.334 -0.363 5.288 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -12.992 1.219 3.658 1.00 0.00 N ATOM 0 H ARG A 90 -7.070 -2.398 6.332 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.106 -0.419 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.776 -1.128 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.062 0.469 8.527 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.030 0.585 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.836 -0.970 5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.775 -0.080 7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.953 1.442 7.454 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.077 1.927 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.066 -0.798 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.141 -0.713 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.460 2.005 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.800 0.861 3.149 1.00 0.00 H new ATOM 1383 N THR A 91 -7.200 -2.162 9.904 1.00 0.00 N ATOM 1384 CA THR A 91 -6.600 -2.231 11.233 1.00 0.00 C ATOM 1385 C THR A 91 -5.080 -2.190 11.133 1.00 0.00 C ATOM 1386 O THR A 91 -4.420 -1.552 11.952 1.00 0.00 O ATOM 1387 CB THR A 91 -7.039 -3.511 11.945 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.446 -3.597 11.965 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.512 -3.533 13.377 1.00 0.00 C ATOM 0 H THR A 91 -7.719 -2.995 9.626 1.00 0.00 H new ATOM 0 HA THR A 91 -6.938 -1.370 11.809 1.00 0.00 H new ATOM 0 HB THR A 91 -6.630 -4.362 11.401 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.717 -4.421 12.421 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.834 -4.451 13.869 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.423 -3.491 13.365 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.902 -2.673 13.922 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.523 -2.870 10.128 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.096 -2.829 9.873 1.00 0.00 C ATOM 1399 C GLU A 92 -2.707 -1.445 9.384 1.00 0.00 C ATOM 1400 O GLU A 92 -1.689 -0.916 9.820 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.756 -3.888 8.822 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.289 -3.756 8.406 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.834 -4.882 7.481 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -1.346 -6.014 7.627 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.034 -4.600 6.625 1.00 0.00 O ATOM 0 H GLU A 92 -5.048 -3.456 9.479 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.541 -3.039 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.941 -4.884 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.402 -3.770 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.143 -2.799 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.662 -3.749 9.298 1.00 0.00 H new ATOM 1412 N MET A 93 -3.513 -0.868 8.489 1.00 0.00 N ATOM 1413 CA MET A 93 -3.209 0.415 7.879 1.00 0.00 C ATOM 1414 C MET A 93 -3.079 1.504 8.940 1.00 0.00 C ATOM 1415 O MET A 93 -2.172 2.328 8.868 1.00 0.00 O ATOM 1416 CB MET A 93 -4.322 0.759 6.890 1.00 0.00 C ATOM 1417 CG MET A 93 -4.027 2.066 6.158 1.00 0.00 C ATOM 1418 SD MET A 93 -5.345 2.588 5.030 1.00 0.00 S ATOM 1419 CE MET A 93 -6.631 2.975 6.246 1.00 0.00 C ATOM 0 H MET A 93 -4.390 -1.281 8.172 1.00 0.00 H new ATOM 0 HA MET A 93 -2.255 0.353 7.355 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.432 -0.049 6.167 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.270 0.843 7.421 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.858 2.853 6.893 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.102 1.954 5.593 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.392 3.603 5.783 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.089 2.051 6.598 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.187 3.504 7.089 1.00 0.00 H new ATOM 1429 N ASP A 94 -3.978 1.513 9.926 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.991 2.534 10.964 1.00 0.00 C ATOM 1431 C ASP A 94 -2.727 2.492 11.821 1.00 0.00 C ATOM 1432 O ASP A 94 -2.283 3.516 12.338 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.211 2.295 11.846 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.436 3.448 12.819 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.768 4.553 12.336 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.274 3.217 14.040 1.00 0.00 O ATOM 0 H ASP A 94 -4.714 0.813 10.023 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.031 3.515 10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.094 2.169 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.081 1.368 12.404 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.149 1.299 11.966 1.00 0.00 N ATOM 1442 CA TRP A 95 -0.982 1.076 12.807 1.00 0.00 C ATOM 1443 C TRP A 95 0.335 1.417 12.107 1.00 0.00 C ATOM 1444 O TRP A 95 1.336 1.672 12.774 1.00 0.00 O ATOM 1445 CB TRP A 95 -0.979 -0.395 13.222 1.00 0.00 C ATOM 1446 CG TRP A 95 0.203 -0.818 14.035 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.303 -0.779 15.381 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.478 -1.350 13.562 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.545 -1.237 15.771 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.319 -1.592 14.684 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.009 -1.638 12.291 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.622 -2.086 14.550 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.315 -2.129 12.144 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.122 -2.355 13.269 1.00 0.00 C ATOM 0 H TRP A 95 -2.483 0.457 11.498 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.051 1.738 13.670 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.885 -0.598 13.792 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.023 -1.011 12.324 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.473 -0.440 16.052 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.853 -1.305 16.741 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.400 -1.478 11.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.234 -2.258 15.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.702 -2.335 11.157 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.126 -2.735 13.148 1.00 0.00 H new ATOM 1465 N VAL A 96 0.347 1.425 10.772 1.00 0.00 N ATOM 1466 CA VAL A 96 1.567 1.643 9.995 1.00 0.00 C ATOM 1467 C VAL A 96 1.553 2.991 9.272 1.00 0.00 C ATOM 1468 O VAL A 96 2.574 3.421 8.740 1.00 0.00 O ATOM 1469 CB VAL A 96 1.756 0.457 9.041 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.539 0.325 8.140 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.020 0.550 8.186 1.00 0.00 C ATOM 0 H VAL A 96 -0.486 1.281 10.202 1.00 0.00 H new ATOM 0 HA VAL A 96 2.425 1.692 10.666 1.00 0.00 H new ATOM 0 HB VAL A 96 1.871 -0.427 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.677 -0.519 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.349 0.160 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.415 1.239 7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.085 -0.323 7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.981 1.453 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.896 0.587 8.834 1.00 0.00 H new ATOM 1481 N LEU A 97 0.406 3.676 9.242 1.00 0.00 N ATOM 1482 CA LEU A 97 0.318 5.016 8.679 1.00 0.00 C ATOM 1483 C LEU A 97 1.060 6.037 9.547 1.00 0.00 C ATOM 1484 O LEU A 97 1.185 7.195 9.153 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.161 5.396 8.553 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.622 5.626 7.112 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.960 6.867 6.519 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.321 4.412 6.234 1.00 0.00 C ATOM 0 H LEU A 97 -0.477 3.317 9.605 1.00 0.00 H new ATOM 0 HA LEU A 97 0.792 5.022 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.768 4.607 8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.344 6.302 9.131 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.701 5.778 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.304 7.009 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.225 7.741 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.122 6.739 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.660 4.606 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.247 4.224 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.841 3.539 6.629 1.00 0.00 H new ATOM 1500 N LYS A 98 1.550 5.619 10.721 1.00 0.00 N ATOM 1501 CA LYS A 98 2.255 6.496 11.646 1.00 0.00 C ATOM 1502 C LYS A 98 3.505 5.843 12.238 1.00 0.00 C ATOM 1503 O LYS A 98 4.155 6.438 13.096 1.00 0.00 O ATOM 1504 CB LYS A 98 1.297 6.903 12.762 1.00 0.00 C ATOM 1505 CG LYS A 98 0.126 7.708 12.200 1.00 0.00 C ATOM 1506 CD LYS A 98 -0.675 8.290 13.359 1.00 0.00 C ATOM 1507 CE LYS A 98 -1.868 9.078 12.820 1.00 0.00 C ATOM 1508 NZ LYS A 98 -2.663 9.659 13.918 1.00 0.00 N ATOM 0 H LYS A 98 1.465 4.658 11.051 1.00 0.00 H new ATOM 0 HA LYS A 98 2.593 7.371 11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.923 6.014 13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.829 7.496 13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.493 8.508 11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.509 7.070 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.022 7.489 14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.040 8.940 13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.515 9.873 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.498 8.423 12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.466 10.188 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.018 8.897 14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.066 10.302 14.476 1.00 0.00 H new