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= 1.03 K(o=0.18,f=-1.1) USER MOD Set 1.2: A 78 MET CE :methyl 158:sc= -0.85 (180deg=-1.56!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 62:sc= 0.543 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.247 X(o=0.25,f=-0.00065) USER MOD Single : A 32 SER OG : rot -50:sc= 0.567 USER MOD Single : A 34 CYS SG : rot -64:sc= 0.128 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.597 K(o=0.6,f=-1.9!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=-0.07) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00715 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 179:sc= -0.873 (180deg=-0.898) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc=-0.00593 (180deg=-0.149) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 1.89 (180deg=1.74) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0629 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot -23:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.124 USER MOD Single : A 89 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -148:sc= -0.096 (180deg=-0.661) USER MOD Single : A 98 LYS NZ :NH3+ -111:sc= 0.126 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.419 -3.832 2.567 1.00 0.00 N ATOM 127 CA PHE A 11 -12.274 -3.462 1.165 1.00 0.00 C ATOM 128 C PHE A 11 -11.078 -2.530 0.988 1.00 0.00 C ATOM 129 O PHE A 11 -11.199 -1.436 0.440 1.00 0.00 O ATOM 130 CB PHE A 11 -13.565 -2.815 0.665 1.00 0.00 C ATOM 131 CG PHE A 11 -14.817 -3.604 0.980 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.776 -5.004 1.059 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.027 -2.929 1.197 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.939 -5.725 1.356 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.191 -3.650 1.495 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.148 -5.049 1.576 1.00 0.00 C ATOM 0 HA PHE A 11 -12.090 -4.356 0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.655 -1.822 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.496 -2.680 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.846 -5.527 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.062 -1.851 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.905 -6.803 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.121 -3.128 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.044 -5.605 1.807 1.00 0.00 H new ATOM 146 N VAL A 12 -9.913 -2.973 1.459 1.00 0.00 N ATOM 147 CA VAL A 12 -8.683 -2.198 1.405 1.00 0.00 C ATOM 148 C VAL A 12 -7.560 -3.108 0.926 1.00 0.00 C ATOM 149 O VAL A 12 -7.618 -4.322 1.118 1.00 0.00 O ATOM 150 CB VAL A 12 -8.379 -1.628 2.800 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.079 -0.821 2.822 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.508 -0.706 3.259 1.00 0.00 C ATOM 0 H VAL A 12 -9.800 -3.889 1.892 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.782 -1.362 0.712 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.281 -2.484 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.905 -0.438 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.248 -1.462 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.157 0.013 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.276 -0.312 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.613 0.119 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.441 -1.267 3.302 1.00 0.00 H new ATOM 162 N VAL A 13 -6.537 -2.523 0.303 1.00 0.00 N ATOM 163 CA VAL A 13 -5.370 -3.272 -0.143 1.00 0.00 C ATOM 164 C VAL A 13 -4.090 -2.502 0.155 1.00 0.00 C ATOM 165 O VAL A 13 -4.119 -1.309 0.451 1.00 0.00 O ATOM 166 CB VAL A 13 -5.455 -3.602 -1.640 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.629 -4.539 -1.917 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.601 -2.347 -2.501 1.00 0.00 C ATOM 0 H VAL A 13 -6.497 -1.525 0.096 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.351 -4.211 0.409 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.518 -4.091 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.673 -4.762 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.495 -5.465 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.558 -4.060 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.657 -2.631 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.511 -1.816 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.739 -1.697 -2.346 1.00 0.00 H new ATOM 178 N LYS A 14 -2.961 -3.209 0.071 1.00 0.00 N ATOM 179 CA LYS A 14 -1.640 -2.642 0.279 1.00 0.00 C ATOM 180 C LYS A 14 -0.991 -2.435 -1.083 1.00 0.00 C ATOM 181 O LYS A 14 -1.380 -3.084 -2.054 1.00 0.00 O ATOM 182 CB LYS A 14 -0.785 -3.590 1.125 1.00 0.00 C ATOM 183 CG LYS A 14 -1.586 -4.241 2.254 1.00 0.00 C ATOM 184 CD LYS A 14 -0.661 -5.053 3.158 1.00 0.00 C ATOM 185 CE LYS A 14 -1.502 -5.899 4.110 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.654 -6.611 5.083 1.00 0.00 N ATOM 0 H LYS A 14 -2.946 -4.205 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.722 -1.692 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.366 -4.366 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.054 -3.039 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.095 -3.474 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.357 -4.888 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.016 -5.694 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.010 -4.387 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.209 -5.261 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.088 -6.619 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.253 -7.178 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.004 -7.237 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.114 -5.921 5.643 1.00 0.00 H new ATOM 200 N LEU A 15 -0.008 -1.539 -1.162 1.00 0.00 N ATOM 201 CA LEU A 15 0.665 -1.236 -2.409 1.00 0.00 C ATOM 202 C LEU A 15 2.161 -1.097 -2.145 1.00 0.00 C ATOM 203 O LEU A 15 2.566 -0.537 -1.127 1.00 0.00 O ATOM 204 CB LEU A 15 0.066 0.073 -2.922 1.00 0.00 C ATOM 205 CG LEU A 15 0.025 0.224 -4.441 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.388 0.050 -5.102 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.948 -0.778 -5.058 1.00 0.00 C ATOM 0 H LEU A 15 0.338 -1.008 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 15 0.533 -2.022 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.950 0.163 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.639 0.902 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.308 1.245 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.287 0.170 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.078 0.801 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.775 -0.945 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.961 -0.653 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.630 -1.792 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.948 -0.606 -4.660 1.00 0.00 H new ATOM 219 N ARG A 16 2.979 -1.606 -3.066 1.00 0.00 N ATOM 220 CA ARG A 16 4.427 -1.518 -2.986 1.00 0.00 C ATOM 221 C ARG A 16 4.996 -1.364 -4.390 1.00 0.00 C ATOM 222 O ARG A 16 4.430 -1.897 -5.344 1.00 0.00 O ATOM 223 CB ARG A 16 5.018 -2.793 -2.366 1.00 0.00 C ATOM 224 CG ARG A 16 4.600 -3.100 -0.926 1.00 0.00 C ATOM 225 CD ARG A 16 3.262 -3.836 -0.840 1.00 0.00 C ATOM 226 NE ARG A 16 2.976 -4.248 0.537 1.00 0.00 N ATOM 227 CZ ARG A 16 2.747 -3.413 1.555 1.00 0.00 C ATOM 228 NH1 ARG A 16 2.700 -2.094 1.369 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.564 -3.904 2.778 1.00 0.00 N ATOM 0 H ARG A 16 2.645 -2.096 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 16 4.685 -0.661 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.738 -3.640 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.105 -2.718 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.372 -3.704 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.533 -2.168 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.463 -3.189 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.282 -4.712 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 16 2.950 -5.249 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.840 -1.705 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.524 -1.473 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.599 -4.911 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.389 -3.273 3.560 1.00 0.00 H new ATOM 243 N GLY A 17 6.110 -0.642 -4.534 1.00 0.00 N ATOM 244 CA GLY A 17 6.789 -0.566 -5.820 1.00 0.00 C ATOM 245 C GLY A 17 7.340 0.817 -6.141 1.00 0.00 C ATOM 246 O GLY A 17 7.300 1.726 -5.312 1.00 0.00 O ATOM 0 H GLY A 17 6.552 -0.110 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.608 -1.285 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.094 -0.862 -6.606 1.00 0.00 H new ATOM 250 N LEU A 18 7.853 0.942 -7.371 1.00 0.00 N ATOM 251 CA LEU A 18 8.405 2.167 -7.943 1.00 0.00 C ATOM 252 C LEU A 18 9.647 2.687 -7.210 1.00 0.00 C ATOM 253 O LEU A 18 9.900 2.286 -6.079 1.00 0.00 O ATOM 254 CB LEU A 18 7.301 3.229 -8.035 1.00 0.00 C ATOM 255 CG LEU A 18 6.122 2.747 -8.883 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.188 3.924 -9.150 1.00 0.00 C ATOM 257 CD2 LEU A 18 6.621 2.170 -10.208 1.00 0.00 C ATOM 0 H LEU A 18 7.895 0.156 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 18 8.761 1.929 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.951 3.478 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.710 4.143 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 18 5.587 1.965 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.345 3.589 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.822 4.320 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.730 4.705 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.771 1.831 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.164 2.939 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.285 1.328 -10.011 1.00 0.00 H new ATOM 269 N PRO A 19 10.421 3.579 -7.858 1.00 0.00 N ATOM 270 CA PRO A 19 11.613 4.255 -7.341 1.00 0.00 C ATOM 271 C PRO A 19 11.470 4.957 -5.984 1.00 0.00 C ATOM 272 O PRO A 19 11.600 6.178 -5.903 1.00 0.00 O ATOM 273 CB PRO A 19 12.037 5.239 -8.434 1.00 0.00 C ATOM 274 CG PRO A 19 11.507 4.596 -9.707 1.00 0.00 C ATOM 275 CD PRO A 19 10.187 4.007 -9.228 1.00 0.00 C ATOM 0 HA PRO A 19 12.363 3.495 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.608 6.228 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.119 5.363 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.365 5.325 -10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.182 3.831 -10.091 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.388 4.747 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.883 3.168 -9.854 1.00 0.00 H new ATOM 283 N TRP A 20 11.203 4.193 -4.920 1.00 0.00 N ATOM 284 CA TRP A 20 11.150 4.656 -3.535 1.00 0.00 C ATOM 285 C TRP A 20 10.172 5.816 -3.311 1.00 0.00 C ATOM 286 O TRP A 20 10.144 6.395 -2.229 1.00 0.00 O ATOM 287 CB TRP A 20 12.576 4.976 -3.054 1.00 0.00 C ATOM 288 CG TRP A 20 13.645 4.362 -3.907 1.00 0.00 C ATOM 289 CD1 TRP A 20 14.254 4.995 -4.932 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.244 3.027 -3.860 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.091 4.126 -5.592 1.00 0.00 N ATOM 292 CE2 TRP A 20 15.077 2.878 -5.008 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.181 1.929 -2.978 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.694 1.671 -5.336 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.882 0.745 -3.256 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.571 0.593 -4.461 1.00 0.00 C ATOM 0 H TRP A 20 11.011 3.195 -5.007 1.00 0.00 H new ATOM 0 HA TRP A 20 10.744 3.849 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.712 6.057 -3.037 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.693 4.624 -2.029 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.106 6.032 -5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.650 4.373 -6.408 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.587 2.000 -2.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.257 1.573 -6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.888 -0.056 -2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.009 -0.361 -4.715 1.00 0.00 H new ATOM 307 N SER A 21 9.367 6.162 -4.322 1.00 0.00 N ATOM 308 CA SER A 21 8.391 7.238 -4.236 1.00 0.00 C ATOM 309 C SER A 21 7.337 7.074 -5.331 1.00 0.00 C ATOM 310 O SER A 21 7.593 6.441 -6.355 1.00 0.00 O ATOM 311 CB SER A 21 9.109 8.576 -4.404 1.00 0.00 C ATOM 312 OG SER A 21 8.193 9.640 -4.253 1.00 0.00 O ATOM 0 H SER A 21 9.380 5.695 -5.228 1.00 0.00 H new ATOM 0 HA SER A 21 7.896 7.206 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.906 8.665 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.577 8.626 -5.387 1.00 0.00 H new ATOM 0 HG SER A 21 8.662 10.494 -4.361 1.00 0.00 H new ATOM 318 N CYS A 22 6.152 7.646 -5.109 1.00 0.00 N ATOM 319 CA CYS A 22 5.034 7.583 -6.032 1.00 0.00 C ATOM 320 C CYS A 22 4.027 8.692 -5.711 1.00 0.00 C ATOM 321 O CYS A 22 4.243 9.482 -4.790 1.00 0.00 O ATOM 322 CB CYS A 22 4.383 6.208 -5.893 1.00 0.00 C ATOM 323 SG CYS A 22 4.056 5.848 -4.148 1.00 0.00 S ATOM 0 H CYS A 22 5.946 8.176 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 22 5.376 7.728 -7.057 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.452 6.179 -6.459 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.036 5.444 -6.314 1.00 0.00 H new ATOM 0 HG CYS A 22 3.229 6.730 -3.671 1.00 0.00 H new ATOM 329 N SER A 23 2.926 8.753 -6.470 1.00 0.00 N ATOM 330 CA SER A 23 1.885 9.757 -6.281 1.00 0.00 C ATOM 331 C SER A 23 0.505 9.125 -6.439 1.00 0.00 C ATOM 332 O SER A 23 0.376 8.031 -6.989 1.00 0.00 O ATOM 333 CB SER A 23 2.063 10.893 -7.289 1.00 0.00 C ATOM 334 OG SER A 23 3.326 11.502 -7.125 1.00 0.00 O ATOM 0 H SER A 23 2.736 8.103 -7.233 1.00 0.00 H new ATOM 0 HA SER A 23 1.969 10.163 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.968 10.506 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.275 11.634 -7.155 1.00 0.00 H new ATOM 0 HG SER A 23 3.427 12.226 -7.777 1.00 0.00 H new ATOM 340 N VAL A 24 -0.534 9.816 -5.957 1.00 0.00 N ATOM 341 CA VAL A 24 -1.886 9.270 -5.927 1.00 0.00 C ATOM 342 C VAL A 24 -2.469 9.077 -7.326 1.00 0.00 C ATOM 343 O VAL A 24 -3.449 8.353 -7.483 1.00 0.00 O ATOM 344 CB VAL A 24 -2.817 10.116 -5.039 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.050 11.089 -4.144 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.851 10.921 -5.819 1.00 0.00 C ATOM 0 H VAL A 24 -0.458 10.761 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.812 8.279 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.334 9.373 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.755 11.660 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.380 10.531 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.468 11.771 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.469 11.490 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.343 11.606 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.482 10.243 -6.394 1.00 0.00 H new ATOM 356 N GLU A 25 -1.882 9.712 -8.344 1.00 0.00 N ATOM 357 CA GLU A 25 -2.386 9.606 -9.704 1.00 0.00 C ATOM 358 C GLU A 25 -1.845 8.366 -10.408 1.00 0.00 C ATOM 359 O GLU A 25 -2.497 7.844 -11.310 1.00 0.00 O ATOM 360 CB GLU A 25 -1.985 10.851 -10.493 1.00 0.00 C ATOM 361 CG GLU A 25 -2.578 12.109 -9.859 1.00 0.00 C ATOM 362 CD GLU A 25 -2.266 13.343 -10.703 1.00 0.00 C ATOM 363 OE1 GLU A 25 -3.085 13.655 -11.596 1.00 0.00 O ATOM 364 OE2 GLU A 25 -1.211 13.966 -10.447 1.00 0.00 O ATOM 0 H GLU A 25 -1.057 10.304 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.472 9.522 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.899 10.932 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.329 10.761 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.657 11.996 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.176 12.239 -8.854 1.00 0.00 H new ATOM 371 N ASP A 26 -0.664 7.882 -10.011 1.00 0.00 N ATOM 372 CA ASP A 26 -0.085 6.694 -10.621 1.00 0.00 C ATOM 373 C ASP A 26 -0.721 5.444 -10.024 1.00 0.00 C ATOM 374 O ASP A 26 -0.907 4.447 -10.719 1.00 0.00 O ATOM 375 CB ASP A 26 1.422 6.675 -10.373 1.00 0.00 C ATOM 376 CG ASP A 26 2.107 7.880 -11.013 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.156 7.921 -12.262 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.577 8.748 -10.247 1.00 0.00 O ATOM 0 H ASP A 26 -0.096 8.297 -9.272 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.274 6.712 -11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.616 6.672 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.847 5.756 -10.777 1.00 0.00 H new ATOM 383 N VAL A 27 -1.055 5.489 -8.733 1.00 0.00 N ATOM 384 CA VAL A 27 -1.668 4.352 -8.070 1.00 0.00 C ATOM 385 C VAL A 27 -3.109 4.160 -8.544 1.00 0.00 C ATOM 386 O VAL A 27 -3.538 3.025 -8.729 1.00 0.00 O ATOM 387 CB VAL A 27 -1.558 4.531 -6.554 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.343 5.744 -6.064 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.050 3.296 -5.807 1.00 0.00 C ATOM 0 H VAL A 27 -0.909 6.301 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.138 3.437 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.499 4.684 -6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.237 5.833 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.957 6.644 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.396 5.622 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.957 3.459 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.095 3.112 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.450 2.433 -6.096 1.00 0.00 H new ATOM 399 N GLN A 28 -3.875 5.238 -8.749 1.00 0.00 N ATOM 400 CA GLN A 28 -5.227 5.085 -9.270 1.00 0.00 C ATOM 401 C GLN A 28 -5.200 4.682 -10.745 1.00 0.00 C ATOM 402 O GLN A 28 -6.153 4.079 -11.238 1.00 0.00 O ATOM 403 CB GLN A 28 -6.038 6.363 -9.052 1.00 0.00 C ATOM 404 CG GLN A 28 -5.481 7.558 -9.821 1.00 0.00 C ATOM 405 CD GLN A 28 -6.258 8.821 -9.474 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.115 9.263 -10.234 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.964 9.412 -8.319 1.00 0.00 N ATOM 0 H GLN A 28 -3.587 6.199 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.719 4.283 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.070 6.189 -9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.056 6.599 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.427 7.694 -9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.541 7.369 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.246 9.017 -7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.457 10.260 -8.040 1.00 0.00 H new ATOM 416 N ASN A 29 -4.115 5.008 -11.455 1.00 0.00 N ATOM 417 CA ASN A 29 -3.912 4.555 -12.823 1.00 0.00 C ATOM 418 C ASN A 29 -3.638 3.048 -12.867 1.00 0.00 C ATOM 419 O ASN A 29 -3.896 2.405 -13.883 1.00 0.00 O ATOM 420 CB ASN A 29 -2.748 5.350 -13.430 1.00 0.00 C ATOM 421 CG ASN A 29 -1.761 4.470 -14.184 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.847 4.312 -15.398 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.814 3.892 -13.451 1.00 0.00 N ATOM 0 H ASN A 29 -3.360 5.591 -11.094 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.816 4.730 -13.407 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.145 6.106 -14.108 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.222 5.879 -12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.121 3.289 -13.896 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.780 4.051 -12.444 1.00 0.00 H new ATOM 430 N PHE A 30 -3.115 2.483 -11.775 1.00 0.00 N ATOM 431 CA PHE A 30 -2.756 1.072 -11.720 1.00 0.00 C ATOM 432 C PHE A 30 -3.899 0.218 -11.168 1.00 0.00 C ATOM 433 O PHE A 30 -3.985 -0.970 -11.476 1.00 0.00 O ATOM 434 CB PHE A 30 -1.498 0.944 -10.867 1.00 0.00 C ATOM 435 CG PHE A 30 -1.018 -0.473 -10.667 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.147 -1.058 -11.596 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.444 -1.203 -9.551 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.297 -2.372 -11.402 1.00 0.00 C ATOM 439 CE2 PHE A 30 -1.014 -2.519 -9.365 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.136 -3.104 -10.287 1.00 0.00 C ATOM 0 H PHE A 30 -2.931 2.992 -10.910 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.564 0.700 -12.726 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.699 1.522 -11.331 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.689 1.390 -9.891 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.181 -0.497 -12.459 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.108 -0.747 -8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.974 -2.822 -12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.358 -3.085 -8.512 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.207 -4.117 -10.139 1.00 0.00 H new ATOM 450 N LEU A 31 -4.777 0.815 -10.356 1.00 0.00 N ATOM 451 CA LEU A 31 -5.990 0.166 -9.877 1.00 0.00 C ATOM 452 C LEU A 31 -7.167 0.789 -10.628 1.00 0.00 C ATOM 453 O LEU A 31 -8.150 1.211 -10.025 1.00 0.00 O ATOM 454 CB LEU A 31 -6.157 0.294 -8.353 1.00 0.00 C ATOM 455 CG LEU A 31 -5.112 -0.438 -7.498 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.712 -1.786 -8.090 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.887 0.439 -7.296 1.00 0.00 C ATOM 0 H LEU A 31 -4.660 1.769 -10.013 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.938 -0.905 -10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.134 1.352 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.145 -0.079 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.574 -0.640 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.971 -2.261 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.591 -2.426 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.287 -1.636 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.155 -0.093 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.448 0.680 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.178 1.360 -6.790 1.00 0.00 H new ATOM 469 N SER A 32 -7.048 0.838 -11.959 1.00 0.00 N ATOM 470 CA SER A 32 -8.012 1.452 -12.869 1.00 0.00 C ATOM 471 C SER A 32 -9.375 0.748 -12.877 1.00 0.00 C ATOM 472 O SER A 32 -10.138 0.889 -13.833 1.00 0.00 O ATOM 473 CB SER A 32 -7.402 1.478 -14.271 1.00 0.00 C ATOM 474 OG SER A 32 -8.167 2.298 -15.130 1.00 0.00 O ATOM 0 H SER A 32 -6.248 0.436 -12.447 1.00 0.00 H new ATOM 0 HA SER A 32 -8.212 2.464 -12.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.378 1.849 -14.221 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.355 0.466 -14.672 1.00 0.00 H new ATOM 0 HG SER A 32 -9.112 2.045 -15.068 1.00 0.00 H new ATOM 480 N ASP A 33 -9.694 -0.011 -11.824 1.00 0.00 N ATOM 481 CA ASP A 33 -10.937 -0.758 -11.721 1.00 0.00 C ATOM 482 C ASP A 33 -11.593 -0.539 -10.355 1.00 0.00 C ATOM 483 O ASP A 33 -12.556 -1.225 -10.021 1.00 0.00 O ATOM 484 CB ASP A 33 -10.658 -2.246 -11.948 1.00 0.00 C ATOM 485 CG ASP A 33 -9.990 -2.505 -13.296 1.00 0.00 C ATOM 486 OD1 ASP A 33 -10.708 -2.447 -14.319 1.00 0.00 O ATOM 487 OD2 ASP A 33 -8.765 -2.758 -13.289 1.00 0.00 O ATOM 0 H ASP A 33 -9.085 -0.121 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.628 -0.400 -12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.018 -2.621 -11.149 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.594 -2.802 -11.895 1.00 0.00 H new ATOM 492 N CYS A 34 -11.083 0.410 -9.560 1.00 0.00 N ATOM 493 CA CYS A 34 -11.605 0.693 -8.234 1.00 0.00 C ATOM 494 C CYS A 34 -12.042 2.152 -8.112 1.00 0.00 C ATOM 495 O CYS A 34 -12.171 2.850 -9.117 1.00 0.00 O ATOM 496 CB CYS A 34 -10.546 0.328 -7.198 1.00 0.00 C ATOM 497 SG CYS A 34 -9.219 1.559 -7.185 1.00 0.00 S ATOM 0 H CYS A 34 -10.295 1.000 -9.827 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.495 0.089 -8.056 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.002 0.266 -6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.135 -0.656 -7.421 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.608 1.550 -8.332 1.00 0.00 H new ATOM 503 N THR A 35 -12.272 2.619 -6.879 1.00 0.00 N ATOM 504 CA THR A 35 -12.789 3.962 -6.639 1.00 0.00 C ATOM 505 C THR A 35 -11.956 4.740 -5.626 1.00 0.00 C ATOM 506 O THR A 35 -12.300 5.860 -5.250 1.00 0.00 O ATOM 507 CB THR A 35 -14.260 3.848 -6.234 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.971 4.987 -6.663 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.405 3.698 -4.727 1.00 0.00 C ATOM 0 H THR A 35 -12.105 2.079 -6.030 1.00 0.00 H new ATOM 0 HA THR A 35 -12.716 4.544 -7.557 1.00 0.00 H new ATOM 0 HB THR A 35 -14.670 2.959 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.911 4.904 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.461 3.619 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.883 2.799 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.974 4.568 -4.232 1.00 0.00 H new ATOM 517 N ILE A 36 -10.852 4.131 -5.189 1.00 0.00 N ATOM 518 CA ILE A 36 -9.957 4.649 -4.163 1.00 0.00 C ATOM 519 C ILE A 36 -10.731 5.266 -2.993 1.00 0.00 C ATOM 520 O ILE A 36 -10.297 6.245 -2.393 1.00 0.00 O ATOM 521 CB ILE A 36 -8.918 5.589 -4.793 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.318 4.962 -6.057 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.780 5.843 -3.804 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.925 5.574 -7.318 1.00 0.00 C ATOM 0 H ILE A 36 -10.549 3.229 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.401 3.822 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.420 6.523 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.238 5.109 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.493 3.886 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.047 6.510 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.179 6.303 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.302 4.897 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.480 5.110 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.002 5.404 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.727 6.646 -7.334 1.00 0.00 H new ATOM 536 N HIS A 37 -11.889 4.675 -2.681 1.00 0.00 N ATOM 537 CA HIS A 37 -12.808 5.080 -1.622 1.00 0.00 C ATOM 538 C HIS A 37 -13.397 6.486 -1.802 1.00 0.00 C ATOM 539 O HIS A 37 -14.494 6.752 -1.315 1.00 0.00 O ATOM 540 CB HIS A 37 -12.112 4.889 -0.278 1.00 0.00 C ATOM 541 CG HIS A 37 -13.066 4.933 0.882 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.710 3.857 1.450 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.455 6.049 1.568 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.464 4.321 2.462 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.344 5.656 2.577 1.00 0.00 N ATOM 0 H HIS A 37 -12.225 3.858 -3.190 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.687 4.437 -1.670 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.590 3.932 -0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.357 5.665 -0.151 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.630 2.884 1.156 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.133 7.060 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.083 3.705 3.097 1.00 0.00 H new ATOM 553 N ASP A 38 -12.685 7.382 -2.493 1.00 0.00 N ATOM 554 CA ASP A 38 -13.134 8.724 -2.846 1.00 0.00 C ATOM 555 C ASP A 38 -12.335 9.282 -4.028 1.00 0.00 C ATOM 556 O ASP A 38 -12.818 10.174 -4.725 1.00 0.00 O ATOM 557 CB ASP A 38 -12.934 9.681 -1.666 1.00 0.00 C ATOM 558 CG ASP A 38 -14.002 9.529 -0.586 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.195 9.697 -0.925 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.618 9.247 0.570 1.00 0.00 O ATOM 0 H ASP A 38 -11.745 7.180 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.189 8.649 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.952 9.506 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.940 10.707 -2.033 1.00 0.00 H new ATOM 565 N GLY A 39 -11.122 8.767 -4.259 1.00 0.00 N ATOM 566 CA GLY A 39 -10.200 9.292 -5.255 1.00 0.00 C ATOM 567 C GLY A 39 -9.552 10.564 -4.729 1.00 0.00 C ATOM 568 O GLY A 39 -10.243 11.499 -4.327 1.00 0.00 O ATOM 0 H GLY A 39 -10.755 7.963 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.435 8.550 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.731 9.500 -6.184 1.00 0.00 H new ATOM 572 N ALA A 40 -8.217 10.586 -4.735 1.00 0.00 N ATOM 573 CA ALA A 40 -7.422 11.667 -4.171 1.00 0.00 C ATOM 574 C ALA A 40 -7.815 12.007 -2.727 1.00 0.00 C ATOM 575 O ALA A 40 -7.394 13.031 -2.191 1.00 0.00 O ATOM 576 CB ALA A 40 -7.503 12.881 -5.089 1.00 0.00 C ATOM 0 H ALA A 40 -7.654 9.838 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.386 11.333 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.909 13.694 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.117 12.619 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.541 13.200 -5.180 1.00 0.00 H new ATOM 582 N ALA A 41 -8.624 11.146 -2.102 1.00 0.00 N ATOM 583 CA ALA A 41 -9.103 11.321 -0.739 1.00 0.00 C ATOM 584 C ALA A 41 -9.198 9.981 -0.004 1.00 0.00 C ATOM 585 O ALA A 41 -9.852 9.882 1.034 1.00 0.00 O ATOM 586 CB ALA A 41 -10.446 12.046 -0.775 1.00 0.00 C ATOM 0 H ALA A 41 -8.968 10.293 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.390 11.927 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.813 12.182 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.321 13.020 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.164 11.455 -1.344 1.00 0.00 H new ATOM 592 N GLY A 42 -8.543 8.948 -0.544 1.00 0.00 N ATOM 593 CA GLY A 42 -8.489 7.628 0.068 1.00 0.00 C ATOM 594 C GLY A 42 -7.123 6.971 -0.135 1.00 0.00 C ATOM 595 O GLY A 42 -6.932 5.817 0.245 1.00 0.00 O ATOM 0 H GLY A 42 -8.033 9.011 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.699 7.711 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.266 6.995 -0.361 1.00 0.00 H new ATOM 599 N VAL A 43 -6.173 7.700 -0.732 1.00 0.00 N ATOM 600 CA VAL A 43 -4.812 7.213 -0.906 1.00 0.00 C ATOM 601 C VAL A 43 -4.088 7.245 0.443 1.00 0.00 C ATOM 602 O VAL A 43 -4.513 7.954 1.356 1.00 0.00 O ATOM 603 CB VAL A 43 -4.077 8.090 -1.936 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.550 9.370 -1.289 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.925 7.296 -2.551 1.00 0.00 C ATOM 0 H VAL A 43 -6.331 8.637 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.829 6.187 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.781 8.375 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.035 9.971 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.383 9.939 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.855 9.114 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.404 7.916 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.230 6.997 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.318 6.408 -3.045 1.00 0.00 H new ATOM 615 N HIS A 44 -2.997 6.486 0.575 1.00 0.00 N ATOM 616 CA HIS A 44 -2.160 6.517 1.766 1.00 0.00 C ATOM 617 C HIS A 44 -0.719 6.165 1.411 1.00 0.00 C ATOM 618 O HIS A 44 -0.464 5.511 0.404 1.00 0.00 O ATOM 619 CB HIS A 44 -2.669 5.511 2.796 1.00 0.00 C ATOM 620 CG HIS A 44 -3.877 5.978 3.557 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.922 6.995 4.483 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.140 5.465 3.458 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.186 7.084 4.930 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.972 6.171 4.333 1.00 0.00 N ATOM 0 H HIS A 44 -2.674 5.836 -0.142 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.200 7.524 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.910 4.577 2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.868 5.293 3.503 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.444 4.653 2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.525 7.794 5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.970 6.024 4.487 1.00 0.00 H new ATOM 632 N PHE A 45 0.217 6.607 2.255 1.00 0.00 N ATOM 633 CA PHE A 45 1.640 6.360 2.094 1.00 0.00 C ATOM 634 C PHE A 45 2.271 6.213 3.478 1.00 0.00 C ATOM 635 O PHE A 45 1.615 6.479 4.483 1.00 0.00 O ATOM 636 CB PHE A 45 2.265 7.513 1.308 1.00 0.00 C ATOM 637 CG PHE A 45 1.637 7.690 -0.057 1.00 0.00 C ATOM 638 CD1 PHE A 45 1.977 6.821 -1.103 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.710 8.719 -0.279 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.360 6.950 -2.354 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.102 8.856 -1.535 1.00 0.00 C ATOM 642 CZ PHE A 45 0.419 7.965 -2.571 1.00 0.00 C ATOM 0 H PHE A 45 -0.005 7.157 3.085 1.00 0.00 H new ATOM 0 HA PHE A 45 1.815 5.440 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.157 8.437 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.334 7.333 1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.716 6.050 -0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.465 9.406 0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.610 6.266 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.611 9.649 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.061 8.061 -3.534 1.00 0.00 H new ATOM 652 N ILE A 46 3.537 5.792 3.544 1.00 0.00 N ATOM 653 CA ILE A 46 4.180 5.484 4.819 1.00 0.00 C ATOM 654 C ILE A 46 5.570 6.109 4.919 1.00 0.00 C ATOM 655 O ILE A 46 6.111 6.272 6.011 1.00 0.00 O ATOM 656 CB ILE A 46 4.249 3.962 4.967 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.841 3.377 4.802 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.847 3.585 6.322 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.864 1.864 4.962 1.00 0.00 C ATOM 0 H ILE A 46 4.135 5.657 2.728 1.00 0.00 H new ATOM 0 HA ILE A 46 3.592 5.912 5.631 1.00 0.00 H new ATOM 0 HB ILE A 46 4.897 3.547 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.171 3.816 5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.446 3.638 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.889 2.500 6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.854 3.995 6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.225 3.991 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.855 1.470 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.517 1.428 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.237 1.609 5.954 1.00 0.00 H new ATOM 826 N ALA A 57 2.985 1.784 0.681 1.00 0.00 N ATOM 827 CA ALA A 57 1.701 2.469 0.718 1.00 0.00 C ATOM 828 C ALA A 57 0.503 1.530 0.898 1.00 0.00 C ATOM 829 O ALA A 57 0.656 0.314 1.011 1.00 0.00 O ATOM 830 CB ALA A 57 1.567 3.214 -0.610 1.00 0.00 C ATOM 0 HA ALA A 57 1.687 3.132 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.616 3.747 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.385 3.927 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.603 2.500 -1.433 1.00 0.00 H new ATOM 836 N PHE A 58 -0.698 2.124 0.919 1.00 0.00 N ATOM 837 CA PHE A 58 -1.975 1.419 0.955 1.00 0.00 C ATOM 838 C PHE A 58 -2.964 2.128 0.035 1.00 0.00 C ATOM 839 O PHE A 58 -2.706 3.239 -0.427 1.00 0.00 O ATOM 840 CB PHE A 58 -2.580 1.426 2.361 1.00 0.00 C ATOM 841 CG PHE A 58 -1.787 0.756 3.452 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.855 -0.633 3.640 1.00 0.00 C ATOM 843 CD2 PHE A 58 -0.988 1.539 4.291 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.146 -1.232 4.694 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.295 0.944 5.348 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.372 -0.441 5.555 1.00 0.00 C ATOM 0 H PHE A 58 -0.805 3.138 0.911 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.793 0.391 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.747 2.463 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.558 0.947 2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.452 -1.240 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.907 2.603 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.197 -2.301 4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.303 1.554 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.163 -0.897 6.375 1.00 0.00 H new ATOM 856 N VAL A 59 -4.103 1.481 -0.230 1.00 0.00 N ATOM 857 CA VAL A 59 -5.159 2.043 -1.056 1.00 0.00 C ATOM 858 C VAL A 59 -6.509 1.566 -0.532 1.00 0.00 C ATOM 859 O VAL A 59 -6.845 0.389 -0.660 1.00 0.00 O ATOM 860 CB VAL A 59 -4.980 1.603 -2.516 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.041 2.258 -3.398 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.613 2.007 -3.064 1.00 0.00 C ATOM 0 H VAL A 59 -4.313 0.549 0.127 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.112 3.131 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.073 0.517 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.904 1.938 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.032 1.962 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.945 3.342 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.524 1.678 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.508 3.091 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.829 1.541 -2.467 1.00 0.00 H new ATOM 872 N GLU A 60 -7.290 2.473 0.062 1.00 0.00 N ATOM 873 CA GLU A 60 -8.648 2.144 0.467 1.00 0.00 C ATOM 874 C GLU A 60 -9.524 2.085 -0.780 1.00 0.00 C ATOM 875 O GLU A 60 -9.232 2.751 -1.769 1.00 0.00 O ATOM 876 CB GLU A 60 -9.195 3.203 1.428 1.00 0.00 C ATOM 877 CG GLU A 60 -8.399 3.243 2.732 1.00 0.00 C ATOM 878 CD GLU A 60 -9.056 4.188 3.739 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.241 5.376 3.389 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.368 3.712 4.853 1.00 0.00 O ATOM 0 H GLU A 60 -7.004 3.430 0.269 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.650 1.182 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.161 4.182 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.242 2.991 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.335 2.241 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.379 3.570 2.531 1.00 0.00 H new ATOM 887 N LEU A 61 -10.598 1.292 -0.740 1.00 0.00 N ATOM 888 CA LEU A 61 -11.496 1.145 -1.879 1.00 0.00 C ATOM 889 C LEU A 61 -12.946 1.301 -1.432 1.00 0.00 C ATOM 890 O LEU A 61 -13.212 1.579 -0.263 1.00 0.00 O ATOM 891 CB LEU A 61 -11.306 -0.226 -2.531 1.00 0.00 C ATOM 892 CG LEU A 61 -9.834 -0.637 -2.657 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.751 -2.128 -2.945 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.156 0.105 -3.804 1.00 0.00 C ATOM 0 H LEU A 61 -10.864 0.741 0.076 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.260 1.922 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.837 -0.976 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.760 -0.216 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.332 -0.391 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.706 -2.424 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.216 -2.682 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.272 -2.348 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.113 -0.205 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.665 -0.128 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.205 1.179 -3.622 1.00 0.00 H new ATOM 906 N GLY A 62 -13.889 1.120 -2.361 1.00 0.00 N ATOM 907 CA GLY A 62 -15.295 1.330 -2.062 1.00 0.00 C ATOM 908 C GLY A 62 -16.092 0.042 -1.845 1.00 0.00 C ATOM 909 O GLY A 62 -17.093 0.078 -1.131 1.00 0.00 O ATOM 0 H GLY A 62 -13.699 0.830 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.376 1.948 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.748 1.891 -2.879 1.00 0.00 H new ATOM 913 N SER A 63 -15.675 -1.082 -2.436 1.00 0.00 N ATOM 914 CA SER A 63 -16.433 -2.328 -2.327 1.00 0.00 C ATOM 915 C SER A 63 -15.532 -3.558 -2.403 1.00 0.00 C ATOM 916 O SER A 63 -14.359 -3.462 -2.759 1.00 0.00 O ATOM 917 CB SER A 63 -17.452 -2.404 -3.468 1.00 0.00 C ATOM 918 OG SER A 63 -18.358 -1.321 -3.410 1.00 0.00 O ATOM 0 H SER A 63 -14.822 -1.153 -2.991 1.00 0.00 H new ATOM 0 HA SER A 63 -16.928 -2.324 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.932 -2.397 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.000 -3.345 -3.409 1.00 0.00 H new ATOM 0 HG SER A 63 -18.998 -1.390 -4.149 1.00 0.00 H new ATOM 924 N GLU A 64 -16.092 -4.726 -2.065 1.00 0.00 N ATOM 925 CA GLU A 64 -15.393 -6.000 -2.175 1.00 0.00 C ATOM 926 C GLU A 64 -14.968 -6.248 -3.618 1.00 0.00 C ATOM 927 O GLU A 64 -13.947 -6.881 -3.870 1.00 0.00 O ATOM 928 CB GLU A 64 -16.332 -7.120 -1.717 1.00 0.00 C ATOM 929 CG GLU A 64 -15.702 -8.499 -1.920 1.00 0.00 C ATOM 930 CD GLU A 64 -16.620 -9.601 -1.395 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.628 -9.809 -0.162 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.308 -10.227 -2.233 1.00 0.00 O ATOM 0 H GLU A 64 -17.044 -4.808 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.501 -5.978 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.577 -6.983 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.268 -7.061 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.503 -8.660 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.742 -8.544 -1.405 1.00 0.00 H new ATOM 939 N ASP A 65 -15.747 -5.752 -4.580 1.00 0.00 N ATOM 940 CA ASP A 65 -15.420 -5.965 -5.976 1.00 0.00 C ATOM 941 C ASP A 65 -14.142 -5.212 -6.346 1.00 0.00 C ATOM 942 O ASP A 65 -13.435 -5.612 -7.268 1.00 0.00 O ATOM 943 CB ASP A 65 -16.607 -5.516 -6.829 1.00 0.00 C ATOM 944 CG ASP A 65 -16.493 -5.975 -8.282 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.064 -7.131 -8.496 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.838 -5.163 -9.169 1.00 0.00 O ATOM 0 H ASP A 65 -16.595 -5.209 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.232 -7.023 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.528 -5.909 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.680 -4.429 -6.800 1.00 0.00 H new ATOM 951 N ASP A 66 -13.833 -4.124 -5.632 1.00 0.00 N ATOM 952 CA ASP A 66 -12.642 -3.337 -5.900 1.00 0.00 C ATOM 953 C ASP A 66 -11.408 -4.040 -5.344 1.00 0.00 C ATOM 954 O ASP A 66 -10.367 -4.054 -5.998 1.00 0.00 O ATOM 955 CB ASP A 66 -12.767 -1.971 -5.224 1.00 0.00 C ATOM 956 CG ASP A 66 -13.893 -1.098 -5.772 1.00 0.00 C ATOM 957 OD1 ASP A 66 -14.496 -1.475 -6.801 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.137 -0.045 -5.142 1.00 0.00 O ATOM 0 H ASP A 66 -14.401 -3.773 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.541 -3.218 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.926 -2.121 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.823 -1.437 -5.334 1.00 0.00 H new ATOM 963 N VAL A 67 -11.507 -4.622 -4.143 1.00 0.00 N ATOM 964 CA VAL A 67 -10.365 -5.298 -3.540 1.00 0.00 C ATOM 965 C VAL A 67 -10.044 -6.551 -4.337 1.00 0.00 C ATOM 966 O VAL A 67 -8.874 -6.853 -4.553 1.00 0.00 O ATOM 967 CB VAL A 67 -10.606 -5.602 -2.052 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.016 -6.088 -1.751 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.627 -6.647 -1.523 1.00 0.00 C ATOM 0 H VAL A 67 -12.357 -4.636 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.500 -4.635 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.453 -4.646 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.114 -6.283 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.735 -5.325 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.211 -7.005 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.830 -6.834 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.745 -7.573 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.607 -6.280 -1.637 1.00 0.00 H new ATOM 979 N LYS A 68 -11.062 -7.287 -4.782 1.00 0.00 N ATOM 980 CA LYS A 68 -10.840 -8.466 -5.595 1.00 0.00 C ATOM 981 C LYS A 68 -10.153 -8.077 -6.902 1.00 0.00 C ATOM 982 O LYS A 68 -9.207 -8.741 -7.323 1.00 0.00 O ATOM 983 CB LYS A 68 -12.192 -9.136 -5.839 1.00 0.00 C ATOM 984 CG LYS A 68 -12.713 -9.718 -4.521 1.00 0.00 C ATOM 985 CD LYS A 68 -14.186 -10.115 -4.626 1.00 0.00 C ATOM 986 CE LYS A 68 -14.397 -11.203 -5.671 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.817 -11.589 -5.758 1.00 0.00 N ATOM 0 H LYS A 68 -12.043 -7.083 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.182 -9.171 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.903 -8.412 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.091 -9.925 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.119 -10.590 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.589 -8.985 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.539 -10.467 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.782 -9.240 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.053 -10.849 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.795 -12.076 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.932 -12.331 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.136 -11.948 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.387 -10.760 -6.023 1.00 0.00 H new ATOM 1001 N MET A 69 -10.622 -7.005 -7.548 1.00 0.00 N ATOM 1002 CA MET A 69 -10.054 -6.548 -8.810 1.00 0.00 C ATOM 1003 C MET A 69 -8.661 -5.949 -8.634 1.00 0.00 C ATOM 1004 O MET A 69 -7.871 -5.969 -9.576 1.00 0.00 O ATOM 1005 CB MET A 69 -10.985 -5.519 -9.450 1.00 0.00 C ATOM 1006 CG MET A 69 -12.140 -6.234 -10.151 1.00 0.00 C ATOM 1007 SD MET A 69 -13.146 -5.172 -11.219 1.00 0.00 S ATOM 1008 CE MET A 69 -13.789 -4.018 -9.983 1.00 0.00 C ATOM 0 H MET A 69 -11.399 -6.437 -7.211 1.00 0.00 H new ATOM 0 HA MET A 69 -9.954 -7.417 -9.460 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.372 -4.842 -8.689 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.433 -4.911 -10.166 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.735 -7.050 -10.750 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.785 -6.682 -9.395 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.421 -3.276 -10.472 1.00 0.00 H new ATOM 0 HE2 MET A 69 -14.376 -4.565 -9.245 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.958 -3.517 -9.486 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.339 -5.418 -7.453 1.00 0.00 N ATOM 1019 CA ALA A 70 -7.017 -4.867 -7.192 1.00 0.00 C ATOM 1020 C ALA A 70 -5.972 -5.978 -7.074 1.00 0.00 C ATOM 1021 O ALA A 70 -4.803 -5.770 -7.393 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.069 -4.049 -5.904 1.00 0.00 C ATOM 0 H ALA A 70 -8.981 -5.360 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.726 -4.228 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.084 -3.631 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.790 -3.239 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.370 -4.692 -5.077 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.394 -7.158 -6.615 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.523 -8.312 -6.459 1.00 0.00 C ATOM 1030 C LEU A 71 -5.289 -9.025 -7.793 1.00 0.00 C ATOM 1031 O LEU A 71 -4.358 -9.820 -7.909 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.162 -9.255 -5.438 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.317 -8.547 -4.087 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.198 -9.374 -3.159 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.963 -8.309 -3.430 1.00 0.00 C ATOM 0 H LEU A 71 -7.360 -7.335 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.545 -7.985 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.137 -9.585 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.546 -10.147 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.786 -7.580 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.301 -8.861 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.182 -9.502 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.742 -10.351 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.106 -7.805 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.465 -9.265 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.348 -7.686 -4.080 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.120 -8.749 -8.805 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.941 -9.319 -10.142 1.00 0.00 C ATOM 1049 C LYS A 72 -4.689 -8.811 -10.860 1.00 0.00 C ATOM 1050 O LYS A 72 -4.354 -9.330 -11.923 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.154 -9.017 -11.024 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.460 -9.566 -10.451 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.386 -11.069 -10.174 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.694 -11.555 -9.552 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.819 -11.460 -10.504 1.00 0.00 N ATOM 0 H LYS A 72 -6.927 -8.131 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.828 -10.392 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.244 -7.938 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.991 -9.442 -12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.698 -9.040 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.273 -9.367 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.193 -11.608 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.554 -11.282 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.580 -12.589 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.917 -10.963 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.632 -11.994 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.087 -10.463 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.532 -11.857 -11.421 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.995 -7.811 -10.303 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.783 -7.263 -10.898 1.00 0.00 C ATOM 1071 C LYS A 73 -1.683 -7.147 -9.853 1.00 0.00 C ATOM 1072 O LYS A 73 -0.781 -6.320 -9.965 1.00 0.00 O ATOM 1073 CB LYS A 73 -3.069 -5.925 -11.587 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.480 -4.832 -10.604 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.994 -4.748 -10.417 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.662 -4.210 -11.683 1.00 0.00 C ATOM 1077 NZ LYS A 73 -7.114 -4.053 -11.488 1.00 0.00 N ATOM 0 H LYS A 73 -4.263 -7.363 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.430 -7.948 -11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.180 -5.604 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.861 -6.062 -12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.009 -5.020 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.108 -3.871 -10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.392 -5.735 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.226 -4.099 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.222 -3.250 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.474 -4.890 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.571 -3.885 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.502 -4.918 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.294 -3.245 -10.858 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.785 -7.997 -8.835 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.903 -8.046 -7.684 1.00 0.00 C ATOM 1093 C ASP A 74 0.603 -7.964 -7.954 1.00 0.00 C ATOM 1094 O ASP A 74 1.337 -7.680 -7.013 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.250 -9.281 -6.849 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.935 -10.603 -7.553 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.931 -10.629 -8.805 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.698 -11.592 -6.824 1.00 0.00 O ATOM 0 H ASP A 74 -2.521 -8.702 -8.793 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.094 -7.121 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.701 -9.240 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.311 -9.255 -6.600 1.00 0.00 H new ATOM 1103 N ARG A 75 1.092 -8.195 -9.180 1.00 0.00 N ATOM 1104 CA ARG A 75 2.519 -8.083 -9.481 1.00 0.00 C ATOM 1105 C ARG A 75 2.782 -7.451 -10.854 1.00 0.00 C ATOM 1106 O ARG A 75 3.857 -7.649 -11.419 1.00 0.00 O ATOM 1107 CB ARG A 75 3.186 -9.459 -9.388 1.00 0.00 C ATOM 1108 CG ARG A 75 2.698 -10.250 -8.179 1.00 0.00 C ATOM 1109 CD ARG A 75 3.391 -11.601 -8.198 1.00 0.00 C ATOM 1110 NE ARG A 75 2.945 -12.438 -7.081 1.00 0.00 N ATOM 1111 CZ ARG A 75 3.299 -13.714 -6.910 1.00 0.00 C ATOM 1112 NH1 ARG A 75 4.119 -14.320 -7.766 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.825 -14.390 -5.868 1.00 0.00 N ATOM 0 H ARG A 75 0.516 -8.461 -9.979 1.00 0.00 H new ATOM 0 HA ARG A 75 2.956 -7.417 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.981 -10.024 -10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.267 -9.334 -9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.926 -9.717 -7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.616 -10.375 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.183 -12.107 -9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.470 -11.460 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 75 2.324 -12.019 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.487 -13.809 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.379 -15.295 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.196 -13.933 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.090 -15.365 -5.729 1.00 0.00 H new ATOM 1127 N GLU A 76 1.820 -6.695 -11.400 1.00 0.00 N ATOM 1128 CA GLU A 76 1.978 -6.047 -12.701 1.00 0.00 C ATOM 1129 C GLU A 76 2.997 -4.906 -12.664 1.00 0.00 C ATOM 1130 O GLU A 76 3.744 -4.739 -11.703 1.00 0.00 O ATOM 1131 CB GLU A 76 0.635 -5.533 -13.226 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.344 -6.678 -13.440 1.00 0.00 C ATOM 1133 CD GLU A 76 0.260 -7.817 -14.261 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.601 -7.563 -15.438 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.375 -8.932 -13.705 1.00 0.00 O ATOM 0 H GLU A 76 0.920 -6.519 -10.954 1.00 0.00 H new ATOM 0 HA GLU A 76 2.359 -6.808 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.214 -4.818 -12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.788 -5.001 -14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.666 -7.063 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.234 -6.302 -13.945 1.00 0.00 H new ATOM 1142 N SER A 77 3.012 -4.117 -13.742 1.00 0.00 N ATOM 1143 CA SER A 77 4.030 -3.103 -13.983 1.00 0.00 C ATOM 1144 C SER A 77 3.431 -1.820 -14.562 1.00 0.00 C ATOM 1145 O SER A 77 2.224 -1.728 -14.781 1.00 0.00 O ATOM 1146 CB SER A 77 5.054 -3.670 -14.968 1.00 0.00 C ATOM 1147 OG SER A 77 5.619 -4.862 -14.463 1.00 0.00 O ATOM 0 H SER A 77 2.307 -4.169 -14.478 1.00 0.00 H new ATOM 0 HA SER A 77 4.497 -2.850 -13.031 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.575 -3.866 -15.927 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.839 -2.936 -15.148 1.00 0.00 H new ATOM 0 HG SER A 77 6.271 -5.213 -15.105 1.00 0.00 H new ATOM 1153 N MET A 78 4.295 -0.828 -14.804 1.00 0.00 N ATOM 1154 CA MET A 78 3.930 0.433 -15.443 1.00 0.00 C ATOM 1155 C MET A 78 4.913 0.759 -16.564 1.00 0.00 C ATOM 1156 O MET A 78 4.543 1.383 -17.557 1.00 0.00 O ATOM 1157 CB MET A 78 3.994 1.578 -14.427 1.00 0.00 C ATOM 1158 CG MET A 78 2.941 1.504 -13.326 1.00 0.00 C ATOM 1159 SD MET A 78 3.155 2.849 -12.128 1.00 0.00 S ATOM 1160 CE MET A 78 1.727 2.566 -11.056 1.00 0.00 C ATOM 0 H MET A 78 5.283 -0.884 -14.556 1.00 0.00 H new ATOM 0 HA MET A 78 2.920 0.328 -15.838 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.982 1.585 -13.968 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.882 2.524 -14.957 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.945 1.560 -13.766 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.011 0.543 -12.816 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.906 3.024 -10.083 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.839 3.009 -11.508 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.573 1.494 -10.930 1.00 0.00 H new ATOM 1170 N GLY A 79 6.167 0.330 -16.399 1.00 0.00 N ATOM 1171 CA GLY A 79 7.230 0.554 -17.361 1.00 0.00 C ATOM 1172 C GLY A 79 8.518 0.903 -16.624 1.00 0.00 C ATOM 1173 O GLY A 79 8.484 1.642 -15.643 1.00 0.00 O ATOM 0 H GLY A 79 6.469 -0.191 -15.576 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.377 -0.338 -17.970 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.956 1.362 -18.040 1.00 0.00 H new ATOM 1177 N HIS A 80 9.648 0.367 -17.101 1.00 0.00 N ATOM 1178 CA HIS A 80 10.969 0.496 -16.490 1.00 0.00 C ATOM 1179 C HIS A 80 11.025 0.118 -15.002 1.00 0.00 C ATOM 1180 O HIS A 80 12.099 0.171 -14.403 1.00 0.00 O ATOM 1181 CB HIS A 80 11.507 1.908 -16.732 1.00 0.00 C ATOM 1182 CG HIS A 80 11.502 2.302 -18.185 1.00 0.00 C ATOM 1183 ND1 HIS A 80 10.678 3.232 -18.777 1.00 0.00 N ATOM 1184 CD2 HIS A 80 12.317 1.802 -19.166 1.00 0.00 C ATOM 1185 CE1 HIS A 80 10.992 3.287 -20.083 1.00 0.00 C ATOM 1186 NE2 HIS A 80 11.989 2.432 -20.371 1.00 0.00 N ATOM 0 H HIS A 80 9.664 -0.189 -17.956 1.00 0.00 H new ATOM 0 HA HIS A 80 11.612 -0.237 -16.978 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.907 2.621 -16.167 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.525 1.973 -16.348 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.081 1.051 -19.032 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.509 3.931 -20.803 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.419 2.275 -21.283 1.00 0.00 H new ATOM 1194 N ARG A 81 9.893 -0.261 -14.397 1.00 0.00 N ATOM 1195 CA ARG A 81 9.816 -0.688 -13.007 1.00 0.00 C ATOM 1196 C ARG A 81 8.509 -1.448 -12.783 1.00 0.00 C ATOM 1197 O ARG A 81 7.665 -1.487 -13.678 1.00 0.00 O ATOM 1198 CB ARG A 81 9.937 0.535 -12.087 1.00 0.00 C ATOM 1199 CG ARG A 81 10.557 0.144 -10.744 1.00 0.00 C ATOM 1200 CD ARG A 81 12.032 -0.243 -10.900 1.00 0.00 C ATOM 1201 NE ARG A 81 12.558 -0.852 -9.673 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.863 -1.008 -9.420 1.00 0.00 C ATOM 1203 NH1 ARG A 81 14.781 -0.597 -10.290 1.00 0.00 N ATOM 1204 NH2 ARG A 81 14.264 -1.578 -8.288 1.00 0.00 N ATOM 0 H ARG A 81 8.992 -0.278 -14.874 1.00 0.00 H new ATOM 0 HA ARG A 81 10.639 -1.362 -12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.550 1.298 -12.567 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.952 0.973 -11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.470 0.976 -10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.003 -0.692 -10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.141 -0.941 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.618 0.642 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 81 11.891 -1.175 -8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.494 -0.156 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.772 -0.723 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.576 -1.899 -7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.260 -1.694 -8.100 1.00 0.00 H new ATOM 1218 N TYR A 82 8.333 -2.053 -11.602 1.00 0.00 N ATOM 1219 CA TYR A 82 7.198 -2.928 -11.361 1.00 0.00 C ATOM 1220 C TYR A 82 6.521 -2.667 -10.020 1.00 0.00 C ATOM 1221 O TYR A 82 7.060 -1.966 -9.161 1.00 0.00 O ATOM 1222 CB TYR A 82 7.629 -4.376 -11.622 1.00 0.00 C ATOM 1223 CG TYR A 82 7.691 -5.332 -10.453 1.00 0.00 C ATOM 1224 CD1 TYR A 82 6.550 -6.077 -10.126 1.00 0.00 C ATOM 1225 CD2 TYR A 82 8.872 -5.490 -9.712 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.580 -6.997 -9.073 1.00 0.00 C ATOM 1227 CE2 TYR A 82 8.912 -6.416 -8.660 1.00 0.00 C ATOM 1228 CZ TYR A 82 7.766 -7.169 -8.330 1.00 0.00 C ATOM 1229 OH TYR A 82 7.803 -8.061 -7.300 1.00 0.00 O ATOM 0 H TYR A 82 8.963 -1.948 -10.807 1.00 0.00 H new ATOM 0 HA TYR A 82 6.397 -2.706 -12.066 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.945 -4.798 -12.359 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.617 -4.350 -12.082 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.640 -5.940 -10.692 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.746 -4.901 -9.951 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.699 -7.573 -8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.825 -6.553 -8.100 1.00 0.00 H new ATOM 0 HH TYR A 82 6.894 -8.217 -6.970 1.00 0.00 H new ATOM 1239 N ILE A 83 5.326 -3.240 -9.853 1.00 0.00 N ATOM 1240 CA ILE A 83 4.420 -2.906 -8.765 1.00 0.00 C ATOM 1241 C ILE A 83 3.969 -4.177 -8.049 1.00 0.00 C ATOM 1242 O ILE A 83 4.078 -5.274 -8.589 1.00 0.00 O ATOM 1243 CB ILE A 83 3.185 -2.173 -9.320 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.481 -1.294 -10.544 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.533 -1.324 -8.226 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.433 -0.130 -10.268 1.00 0.00 C ATOM 0 H ILE A 83 4.962 -3.957 -10.480 1.00 0.00 H new ATOM 0 HA ILE A 83 4.943 -2.260 -8.060 1.00 0.00 H new ATOM 0 HB ILE A 83 2.502 -2.954 -9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.907 -1.918 -11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.541 -0.896 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.661 -0.812 -8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.224 -1.967 -7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.249 -0.587 -7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.588 0.439 -11.185 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.002 0.520 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.389 -0.517 -9.916 1.00 0.00 H new ATOM 1258 N GLU A 84 3.461 -4.026 -6.827 1.00 0.00 N ATOM 1259 CA GLU A 84 3.051 -5.140 -5.987 1.00 0.00 C ATOM 1260 C GLU A 84 1.801 -4.772 -5.183 1.00 0.00 C ATOM 1261 O GLU A 84 1.622 -3.611 -4.813 1.00 0.00 O ATOM 1262 CB GLU A 84 4.227 -5.461 -5.058 1.00 0.00 C ATOM 1263 CG GLU A 84 5.211 -6.444 -5.698 1.00 0.00 C ATOM 1264 CD GLU A 84 4.592 -7.817 -5.935 1.00 0.00 C ATOM 1265 OE1 GLU A 84 3.554 -8.098 -5.300 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.165 -8.570 -6.752 1.00 0.00 O ATOM 0 H GLU A 84 3.323 -3.114 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 84 2.797 -6.011 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.750 -4.539 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.849 -5.881 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.560 -6.038 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.085 -6.549 -5.055 1.00 0.00 H new ATOM 1273 N VAL A 85 0.934 -5.758 -4.910 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.311 -5.553 -4.165 1.00 0.00 C ATOM 1275 C VAL A 85 -0.548 -6.716 -3.200 1.00 0.00 C ATOM 1276 O VAL A 85 -0.068 -7.823 -3.432 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.510 -5.475 -5.126 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.732 -4.849 -4.453 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.210 -4.661 -6.386 1.00 0.00 C ATOM 0 H VAL A 85 1.080 -6.724 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.218 -4.618 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.714 -6.508 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.559 -4.811 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.021 -5.451 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.489 -3.839 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.093 -4.641 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.942 -3.642 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.381 -5.119 -6.926 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.290 -6.468 -2.116 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.652 -7.488 -1.133 1.00 0.00 C ATOM 1291 C PHE A 86 -2.973 -7.079 -0.479 1.00 0.00 C ATOM 1292 O PHE A 86 -3.306 -5.895 -0.450 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.510 -7.606 -0.116 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.572 -8.749 0.879 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.475 -8.685 1.942 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.269 -9.869 0.756 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.582 -9.744 2.855 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.163 -10.933 1.663 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.766 -10.873 2.711 1.00 0.00 C ATOM 0 H PHE A 86 -1.659 -5.543 -1.896 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.794 -8.466 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.425 -7.692 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.463 -6.673 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.098 -7.811 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.999 -9.910 -0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.292 -9.689 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.798 -11.800 1.554 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.852 -11.695 3.406 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.736 -8.040 0.047 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.055 -7.770 0.600 1.00 0.00 C ATOM 1311 C LYS A 87 -4.968 -7.226 2.025 1.00 0.00 C ATOM 1312 O LYS A 87 -4.112 -7.629 2.806 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.861 -9.064 0.554 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.330 -8.775 0.833 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.149 -10.062 0.752 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.623 -9.751 1.007 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.430 -10.986 1.022 1.00 0.00 N ATOM 0 H LYS A 87 -3.455 -9.019 0.099 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.549 -7.000 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.754 -9.534 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.475 -9.769 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.438 -8.329 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.708 -8.050 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.029 -10.520 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.787 -10.782 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.729 -9.232 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.995 -9.079 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.427 -10.747 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.345 -11.467 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.087 -11.615 1.776 1.00 0.00 H new ATOM 1331 N SER A 88 -5.862 -6.301 2.375 1.00 0.00 N ATOM 1332 CA SER A 88 -5.807 -5.624 3.665 1.00 0.00 C ATOM 1333 C SER A 88 -7.173 -5.595 4.350 1.00 0.00 C ATOM 1334 O SER A 88 -8.149 -6.142 3.839 1.00 0.00 O ATOM 1335 CB SER A 88 -5.241 -4.217 3.466 1.00 0.00 C ATOM 1336 OG SER A 88 -4.974 -3.607 4.714 1.00 0.00 O ATOM 0 H SER A 88 -6.635 -6.005 1.779 1.00 0.00 H new ATOM 0 HA SER A 88 -5.148 -6.181 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.326 -4.267 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.950 -3.610 2.903 1.00 0.00 H new ATOM 0 HG SER A 88 -4.611 -2.709 4.568 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.230 -4.946 5.515 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.413 -4.913 6.359 1.00 0.00 C ATOM 1344 C HIS A 89 -8.556 -3.580 7.098 1.00 0.00 C ATOM 1345 O HIS A 89 -9.441 -3.442 7.939 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.336 -6.080 7.346 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.020 -6.148 8.077 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.759 -5.689 9.346 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.855 -6.683 7.595 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.462 -5.929 9.611 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.867 -6.541 8.573 1.00 0.00 N ATOM 0 H HIS A 89 -6.442 -4.424 5.898 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.298 -5.011 5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.144 -5.988 8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.495 -7.015 6.808 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.722 -7.137 6.624 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.966 -5.665 10.533 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.894 -6.840 8.512 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.690 -2.607 6.784 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.771 -1.221 7.246 1.00 0.00 C ATOM 1361 C ARG A 90 -7.215 -1.028 8.658 1.00 0.00 C ATOM 1362 O ARG A 90 -6.735 0.058 8.974 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.220 -0.725 7.165 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.282 0.798 7.025 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.722 1.300 7.152 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.650 0.565 6.282 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.983 0.917 5.037 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -11.452 1.990 4.456 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -12.862 0.185 4.357 1.00 0.00 N ATOM 0 H ARG A 90 -6.886 -2.773 6.179 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.142 -0.626 6.583 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.719 -1.191 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.762 -1.032 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.662 1.263 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.873 1.095 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.047 1.205 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.758 2.361 6.903 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.074 -0.282 6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.776 2.562 4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.721 2.240 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.279 -0.641 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.119 0.450 3.406 1.00 0.00 H new ATOM 1383 N THR A 91 -7.267 -2.057 9.510 1.00 0.00 N ATOM 1384 CA THR A 91 -6.742 -1.942 10.865 1.00 0.00 C ATOM 1385 C THR A 91 -5.220 -1.845 10.840 1.00 0.00 C ATOM 1386 O THR A 91 -4.635 -1.077 11.601 1.00 0.00 O ATOM 1387 CB THR A 91 -7.173 -3.150 11.699 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.576 -3.282 11.653 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.737 -2.978 13.150 1.00 0.00 C ATOM 0 H THR A 91 -7.664 -2.969 9.284 1.00 0.00 H new ATOM 0 HA THR A 91 -7.143 -1.035 11.317 1.00 0.00 H new ATOM 0 HB THR A 91 -6.702 -4.042 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.849 -4.057 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.051 -3.846 13.730 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.652 -2.885 13.195 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.196 -2.080 13.564 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.572 -2.623 9.966 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.132 -2.545 9.793 1.00 0.00 C ATOM 1399 C GLU A 92 -2.777 -1.198 9.185 1.00 0.00 C ATOM 1400 O GLU A 92 -1.803 -0.573 9.592 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.678 -3.670 8.862 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.157 -3.663 8.719 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.678 -4.791 7.809 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.872 -5.968 8.187 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -0.119 -4.470 6.736 1.00 0.00 O ATOM 0 H GLU A 92 -5.030 -3.313 9.370 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.633 -2.650 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.008 -4.631 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.142 -3.550 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.833 -2.704 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.697 -3.766 9.702 1.00 0.00 H new ATOM 1412 N MET A 93 -3.575 -0.760 8.209 1.00 0.00 N ATOM 1413 CA MET A 93 -3.335 0.484 7.505 1.00 0.00 C ATOM 1414 C MET A 93 -3.324 1.649 8.491 1.00 0.00 C ATOM 1415 O MET A 93 -2.438 2.493 8.426 1.00 0.00 O ATOM 1416 CB MET A 93 -4.411 0.643 6.428 1.00 0.00 C ATOM 1417 CG MET A 93 -4.240 1.922 5.607 1.00 0.00 C ATOM 1418 SD MET A 93 -4.801 3.449 6.406 1.00 0.00 S ATOM 1419 CE MET A 93 -6.575 3.100 6.516 1.00 0.00 C ATOM 0 H MET A 93 -4.403 -1.263 7.891 1.00 0.00 H new ATOM 0 HA MET A 93 -2.359 0.474 7.020 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.382 -0.219 5.761 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.394 0.648 6.900 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.185 2.032 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.782 1.805 4.668 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.135 4.031 6.430 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.864 2.427 5.709 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.795 2.632 7.475 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.299 1.701 9.402 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.416 2.803 10.344 1.00 0.00 C ATOM 1431 C ASP A 94 -3.256 2.831 11.334 1.00 0.00 C ATOM 1432 O ASP A 94 -2.880 3.894 11.826 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.724 2.648 11.108 1.00 0.00 C ATOM 1434 CG ASP A 94 -6.033 3.888 11.945 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -6.328 4.938 11.332 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.970 3.779 13.189 1.00 0.00 O ATOM 0 H ASP A 94 -5.019 0.986 9.503 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.396 3.738 9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.538 2.470 10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.666 1.774 11.757 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.689 1.660 11.626 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.619 1.537 12.603 1.00 0.00 C ATOM 1443 C TRP A 95 -0.296 2.099 12.085 1.00 0.00 C ATOM 1444 O TRP A 95 0.288 2.979 12.714 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.446 0.062 12.962 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.337 -0.206 13.929 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.386 0.000 15.263 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.001 -0.729 13.660 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.820 -0.347 15.835 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.716 -0.800 14.887 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.681 -1.146 12.501 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.038 -1.256 14.961 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.007 -1.601 12.560 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.686 -1.657 13.786 1.00 0.00 C ATOM 0 H TRP A 95 -2.960 0.778 11.192 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.895 2.119 13.483 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.380 -0.310 13.384 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.262 -0.504 12.049 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.242 0.380 15.801 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.024 -0.278 16.832 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.173 -1.115 11.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.551 -1.298 15.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.508 -1.910 11.655 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.706 -2.009 13.824 1.00 0.00 H new ATOM 1465 N VAL A 96 0.186 1.605 10.941 1.00 0.00 N ATOM 1466 CA VAL A 96 1.480 2.019 10.412 1.00 0.00 C ATOM 1467 C VAL A 96 1.423 3.446 9.859 1.00 0.00 C ATOM 1468 O VAL A 96 2.457 4.104 9.759 1.00 0.00 O ATOM 1469 CB VAL A 96 1.961 0.995 9.380 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.922 0.811 8.289 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.300 1.412 8.774 1.00 0.00 C ATOM 0 H VAL A 96 -0.303 0.918 10.367 1.00 0.00 H new ATOM 0 HA VAL A 96 2.213 2.044 11.219 1.00 0.00 H new ATOM 0 HB VAL A 96 2.103 0.043 9.892 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.281 0.080 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.010 0.458 8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.748 1.763 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.617 0.667 8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.191 2.378 8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.048 1.489 9.563 1.00 0.00 H new ATOM 1481 N LEU A 97 0.232 3.938 9.500 1.00 0.00 N ATOM 1482 CA LEU A 97 0.054 5.323 9.078 1.00 0.00 C ATOM 1483 C LEU A 97 0.285 6.287 10.249 1.00 0.00 C ATOM 1484 O LEU A 97 0.267 7.503 10.053 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.372 5.512 8.537 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.474 5.647 7.013 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.748 6.901 6.534 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.922 4.428 6.276 1.00 0.00 C ATOM 0 H LEU A 97 -0.627 3.388 9.495 1.00 0.00 H new ATOM 0 HA LEU A 97 0.783 5.543 8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.980 4.664 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.803 6.402 8.995 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.536 5.723 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.832 6.978 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.197 7.780 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.304 6.841 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.020 4.578 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.130 4.295 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.482 3.540 6.571 1.00 0.00 H new ATOM 1500 N LYS A 98 0.499 5.758 11.461 1.00 0.00 N ATOM 1501 CA LYS A 98 0.633 6.548 12.675 1.00 0.00 C ATOM 1502 C LYS A 98 1.809 6.090 13.540 1.00 0.00 C ATOM 1503 O LYS A 98 1.973 6.579 14.657 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.672 6.439 13.457 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.833 6.998 12.635 1.00 0.00 C ATOM 1506 CD LYS A 98 -3.105 6.931 13.470 1.00 0.00 C ATOM 1507 CE LYS A 98 -4.298 7.392 12.635 1.00 0.00 C ATOM 1508 NZ LYS A 98 -5.565 7.211 13.368 1.00 0.00 N ATOM 0 H LYS A 98 0.584 4.754 11.620 1.00 0.00 H new ATOM 0 HA LYS A 98 0.836 7.583 12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.866 5.397 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.587 6.985 14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.627 8.028 12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.955 6.425 11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.267 5.912 13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.004 7.560 14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.175 8.442 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.331 6.829 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.122 6.457 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.361 6.950 14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.107 8.099 13.350 1.00 0.00 H new