USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 Single : A 10 LYS NZ :NH3+ 161:sc= 0.997 (180deg=0.686) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.127 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -43:sc= -1.43! USER MOD Single : A 32 TYR OH : rot -74:sc= 0.595 USER MOD Single : A 33 ASN : amide:sc= -1.58 K(o=-1.6,f=-15!) USER MOD Single : A 34 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.5!) USER MOD Single : A 35 GLN : amide:sc= -0.947 K(o=-0.95,f=-1.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.0092) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.19! C(o=-5.2!,f=-6.8!) USER MOD Single : A 51 MET CE :methyl -165:sc= 0 (180deg=-0.209) USER MOD Single : A 52 ASN : amide:sc= -2.68 K(o=-2.7,f=-6.1!) USER MOD Single : A 53 ASN : amide:sc= -8.05! C(o=-8.1!,f=-13!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= -5.72! (180deg=-6.13!) USER MOD Single : A 62 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 14.843 -8.035 0.161 1.00 1.00 N ATOM 146 CA LYS A 10 14.655 -8.919 1.299 1.00 1.00 C ATOM 147 C LYS A 10 13.663 -10.022 0.924 1.00 1.00 C ATOM 148 O LYS A 10 12.724 -9.738 0.166 1.00 1.00 O ATOM 149 CB LYS A 10 14.245 -8.119 2.537 1.00 1.00 C ATOM 150 CG LYS A 10 15.381 -8.071 3.560 1.00 1.00 C ATOM 151 CD LYS A 10 15.123 -9.045 4.712 1.00 1.00 C ATOM 152 CE LYS A 10 15.201 -8.330 6.062 1.00 1.00 C ATOM 153 NZ LYS A 10 15.512 -9.288 7.135 1.00 1.00 N ATOM 0 HA LYS A 10 15.593 -9.408 1.560 1.00 1.00 H new ATOM 0 HB2 LYS A 10 13.971 -7.105 2.245 1.00 1.00 H new ATOM 0 HB3 LYS A 10 13.362 -8.570 2.990 1.00 1.00 H new ATOM 0 HG2 LYS A 10 16.324 -8.319 3.073 1.00 1.00 H new ATOM 0 HG3 LYS A 10 15.481 -7.058 3.951 1.00 1.00 H new ATOM 0 HD2 LYS A 10 14.140 -9.501 4.594 1.00 1.00 H new ATOM 0 HD3 LYS A 10 15.855 -9.852 4.681 1.00 1.00 H new ATOM 0 HE2 LYS A 10 15.966 -7.554 6.026 1.00 1.00 H new ATOM 0 HE3 LYS A 10 14.254 -7.834 6.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 15.874 -8.775 7.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 14.650 -9.806 7.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 16.232 -9.961 6.802 1.00 1.00 H new ATOM 167 N PRO A 11 13.887 -11.238 1.453 1.00 1.00 N ATOM 168 CA PRO A 11 13.041 -12.392 1.197 1.00 1.00 C ATOM 169 C PRO A 11 11.693 -12.251 1.907 1.00 1.00 C ATOM 170 O PRO A 11 11.660 -12.369 3.141 1.00 1.00 O ATOM 171 CB PRO A 11 13.846 -13.586 1.684 1.00 1.00 C ATOM 172 CG PRO A 11 14.908 -13.021 2.613 1.00 1.00 C ATOM 173 CD PRO A 11 14.959 -11.517 2.404 1.00 1.00 C ATOM 0 HA PRO A 11 12.788 -12.502 0.143 1.00 1.00 H new ATOM 0 HB2 PRO A 11 13.209 -14.299 2.207 1.00 1.00 H new ATOM 0 HB3 PRO A 11 14.301 -14.118 0.848 1.00 1.00 H new ATOM 0 HG2 PRO A 11 14.670 -13.254 3.651 1.00 1.00 H new ATOM 0 HG3 PRO A 11 15.879 -13.469 2.400 1.00 1.00 H new ATOM 0 HD2 PRO A 11 14.806 -10.982 3.341 1.00 1.00 H new ATOM 0 HD3 PRO A 11 15.927 -11.204 2.012 1.00 1.00 H new ATOM 181 N ASP A 12 10.624 -12.005 1.127 1.00 1.00 N ATOM 182 CA ASP A 12 9.289 -11.851 1.677 1.00 1.00 C ATOM 183 C ASP A 12 8.850 -13.169 2.319 1.00 1.00 C ATOM 184 O ASP A 12 8.054 -13.127 3.268 1.00 1.00 O ATOM 185 CB ASP A 12 8.279 -11.498 0.583 1.00 1.00 C ATOM 186 CG ASP A 12 6.837 -11.331 1.063 1.00 1.00 C ATOM 187 OD1 ASP A 12 6.699 -10.645 2.147 1.00 1.00 O ATOM 188 OD2 ASP A 12 5.892 -11.829 0.433 1.00 1.00 O ATOM 0 H ASP A 12 10.672 -11.911 0.113 1.00 1.00 H new ATOM 0 HA ASP A 12 9.319 -11.047 2.413 1.00 1.00 H new ATOM 0 HB2 ASP A 12 8.595 -10.572 0.103 1.00 1.00 H new ATOM 0 HB3 ASP A 12 8.304 -12.277 -0.179 1.00 1.00 H new ATOM 193 N PHE A 13 9.368 -14.294 1.796 1.00 1.00 N ATOM 194 CA PHE A 13 9.032 -15.610 2.314 1.00 1.00 C ATOM 195 C PHE A 13 9.389 -15.674 3.800 1.00 1.00 C ATOM 196 O PHE A 13 8.763 -16.462 4.523 1.00 1.00 O ATOM 197 CB PHE A 13 9.804 -16.681 1.518 1.00 1.00 C ATOM 198 CG PHE A 13 11.295 -16.744 1.821 1.00 1.00 C ATOM 199 CD1 PHE A 13 11.751 -17.232 3.068 1.00 1.00 C ATOM 200 CD2 PHE A 13 12.233 -16.308 0.856 1.00 1.00 C ATOM 201 CE1 PHE A 13 13.134 -17.285 3.346 1.00 1.00 C ATOM 202 CE2 PHE A 13 13.615 -16.362 1.136 1.00 1.00 C ATOM 203 CZ PHE A 13 14.066 -16.851 2.380 1.00 1.00 C ATOM 0 H PHE A 13 10.022 -14.307 1.013 1.00 1.00 H new ATOM 0 HA PHE A 13 7.964 -15.797 2.205 1.00 1.00 H new ATOM 0 HB2 PHE A 13 9.363 -17.656 1.724 1.00 1.00 H new ATOM 0 HB3 PHE A 13 9.671 -16.490 0.453 1.00 1.00 H new ATOM 0 HD1 PHE A 13 11.039 -17.565 3.809 1.00 1.00 H new ATOM 0 HD2 PHE A 13 11.891 -15.933 -0.097 1.00 1.00 H new ATOM 0 HE1 PHE A 13 13.479 -17.658 4.299 1.00 1.00 H new ATOM 0 HE2 PHE A 13 14.328 -16.029 0.397 1.00 1.00 H new ATOM 0 HZ PHE A 13 15.124 -16.893 2.593 1.00 1.00 H new ATOM 213 N CYS A 14 10.373 -14.858 4.219 1.00 1.00 N ATOM 214 CA CYS A 14 10.806 -14.823 5.605 1.00 1.00 C ATOM 215 C CYS A 14 9.671 -14.283 6.477 1.00 1.00 C ATOM 216 O CYS A 14 9.511 -14.769 7.606 1.00 1.00 O ATOM 217 CB CYS A 14 12.087 -14.001 5.762 1.00 1.00 C ATOM 218 SG CYS A 14 13.618 -14.890 5.354 1.00 1.00 S ATOM 0 H CYS A 14 10.877 -14.217 3.606 1.00 1.00 H new ATOM 0 HA CYS A 14 11.043 -15.835 5.934 1.00 1.00 H new ATOM 0 HB2 CYS A 14 12.016 -13.118 5.126 1.00 1.00 H new ATOM 0 HB3 CYS A 14 12.152 -13.648 6.791 1.00 1.00 H new ATOM 224 N PHE A 15 8.917 -13.304 5.945 1.00 1.00 N ATOM 225 CA PHE A 15 7.808 -12.706 6.669 1.00 1.00 C ATOM 226 C PHE A 15 6.534 -13.507 6.395 1.00 1.00 C ATOM 227 O PHE A 15 5.450 -13.038 6.771 1.00 1.00 O ATOM 228 CB PHE A 15 7.641 -11.241 6.221 1.00 1.00 C ATOM 229 CG PHE A 15 8.946 -10.512 5.930 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.957 -10.435 6.916 1.00 1.00 C ATOM 231 CD2 PHE A 15 9.151 -9.902 4.671 1.00 1.00 C ATOM 232 CE1 PHE A 15 11.163 -9.755 6.644 1.00 1.00 C ATOM 233 CE2 PHE A 15 10.357 -9.223 4.399 1.00 1.00 C ATOM 234 CZ PHE A 15 11.364 -9.150 5.385 1.00 1.00 C ATOM 0 H PHE A 15 9.066 -12.917 5.013 1.00 1.00 H new ATOM 0 HA PHE A 15 8.005 -12.723 7.741 1.00 1.00 H new ATOM 0 HB2 PHE A 15 7.020 -11.218 5.325 1.00 1.00 H new ATOM 0 HB3 PHE A 15 7.102 -10.697 6.997 1.00 1.00 H new ATOM 0 HD1 PHE A 15 9.805 -10.898 7.880 1.00 1.00 H new ATOM 0 HD2 PHE A 15 8.382 -9.956 3.915 1.00 1.00 H new ATOM 0 HE1 PHE A 15 11.933 -9.697 7.400 1.00 1.00 H new ATOM 0 HE2 PHE A 15 10.510 -8.759 3.436 1.00 1.00 H new ATOM 0 HZ PHE A 15 12.288 -8.631 5.176 1.00 1.00 H new ATOM 244 N LEU A 16 6.687 -14.680 5.756 1.00 1.00 N ATOM 245 CA LEU A 16 5.556 -15.536 5.436 1.00 1.00 C ATOM 246 C LEU A 16 5.213 -16.397 6.653 1.00 1.00 C ATOM 247 O LEU A 16 6.129 -17.015 7.215 1.00 1.00 O ATOM 248 CB LEU A 16 5.839 -16.346 4.170 1.00 1.00 C ATOM 249 CG LEU A 16 4.762 -16.292 3.084 1.00 1.00 C ATOM 250 CD1 LEU A 16 4.608 -14.871 2.536 1.00 1.00 C ATOM 251 CD2 LEU A 16 5.050 -17.305 1.975 1.00 1.00 C ATOM 0 H LEU A 16 7.589 -15.048 5.455 1.00 1.00 H new ATOM 0 HA LEU A 16 4.675 -14.935 5.212 1.00 1.00 H new ATOM 0 HB2 LEU A 16 6.778 -15.996 3.741 1.00 1.00 H new ATOM 0 HB3 LEU A 16 5.988 -17.388 4.455 1.00 1.00 H new ATOM 0 HG LEU A 16 3.809 -16.570 3.534 1.00 1.00 H new ATOM 0 HD11 LEU A 16 3.837 -14.860 1.766 1.00 1.00 H new ATOM 0 HD12 LEU A 16 4.323 -14.198 3.345 1.00 1.00 H new ATOM 0 HD13 LEU A 16 5.554 -14.542 2.107 1.00 1.00 H new ATOM 0 HD21 LEU A 16 4.270 -17.246 1.216 1.00 1.00 H new ATOM 0 HD22 LEU A 16 6.015 -17.082 1.521 1.00 1.00 H new ATOM 0 HD23 LEU A 16 5.071 -18.310 2.397 1.00 1.00 H new ATOM 263 N GLU A 17 3.922 -16.420 7.030 1.00 1.00 N ATOM 264 CA GLU A 17 3.467 -17.198 8.169 1.00 1.00 C ATOM 265 C GLU A 17 4.021 -18.621 8.064 1.00 1.00 C ATOM 266 O GLU A 17 3.786 -19.270 7.035 1.00 1.00 O ATOM 267 CB GLU A 17 1.940 -17.211 8.267 1.00 1.00 C ATOM 268 CG GLU A 17 1.361 -15.822 7.985 1.00 1.00 C ATOM 269 CD GLU A 17 -0.002 -15.649 8.659 1.00 1.00 C ATOM 270 OE1 GLU A 17 -0.733 -16.634 8.840 1.00 1.00 O ATOM 271 OE2 GLU A 17 -0.291 -14.439 9.000 1.00 1.00 O ATOM 0 H GLU A 17 3.183 -15.903 6.553 1.00 1.00 H new ATOM 0 HA GLU A 17 3.840 -16.732 9.081 1.00 1.00 H new ATOM 0 HB2 GLU A 17 1.532 -17.930 7.556 1.00 1.00 H new ATOM 0 HB3 GLU A 17 1.638 -17.540 9.262 1.00 1.00 H new ATOM 0 HG2 GLU A 17 2.049 -15.057 8.346 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.260 -15.678 6.909 1.00 1.00 H new ATOM 278 N GLU A 18 4.733 -19.069 9.114 1.00 1.00 N ATOM 279 CA GLU A 18 5.313 -20.401 9.139 1.00 1.00 C ATOM 280 C GLU A 18 4.378 -21.373 8.417 1.00 1.00 C ATOM 281 O GLU A 18 3.155 -21.237 8.569 1.00 1.00 O ATOM 282 CB GLU A 18 5.589 -20.866 10.570 1.00 1.00 C ATOM 283 CG GLU A 18 4.362 -21.558 11.168 1.00 1.00 C ATOM 284 CD GLU A 18 3.171 -20.600 11.235 1.00 1.00 C ATOM 285 OE1 GLU A 18 3.476 -19.365 11.449 1.00 1.00 O ATOM 286 OE2 GLU A 18 2.019 -21.032 11.088 1.00 1.00 O ATOM 0 H GLU A 18 4.914 -18.518 9.953 1.00 1.00 H new ATOM 0 HA GLU A 18 6.273 -20.375 8.623 1.00 1.00 H new ATOM 0 HB2 GLU A 18 6.437 -21.551 10.576 1.00 1.00 H new ATOM 0 HB3 GLU A 18 5.866 -20.011 11.187 1.00 1.00 H new ATOM 0 HG2 GLU A 18 4.100 -22.428 10.565 1.00 1.00 H new ATOM 0 HG3 GLU A 18 4.597 -21.923 12.168 1.00 1.00 H new ATOM 293 N ASP A 19 4.961 -22.318 7.658 1.00 1.00 N ATOM 294 CA ASP A 19 4.185 -23.301 6.921 1.00 1.00 C ATOM 295 C ASP A 19 4.880 -24.662 7.008 1.00 1.00 C ATOM 296 O ASP A 19 5.796 -24.907 6.210 1.00 1.00 O ATOM 297 CB ASP A 19 4.074 -22.920 5.444 1.00 1.00 C ATOM 298 CG ASP A 19 2.843 -23.476 4.723 1.00 1.00 C ATOM 299 OD1 ASP A 19 1.836 -23.825 5.357 1.00 1.00 O ATOM 300 OD2 ASP A 19 2.948 -23.545 3.440 1.00 1.00 O ATOM 0 H ASP A 19 5.970 -22.412 7.546 1.00 1.00 H new ATOM 0 HA ASP A 19 3.188 -23.341 7.359 1.00 1.00 H new ATOM 0 HB2 ASP A 19 4.063 -21.833 5.365 1.00 1.00 H new ATOM 0 HB3 ASP A 19 4.968 -23.268 4.926 1.00 1.00 H new ATOM 305 N PRO A 20 4.438 -25.504 7.958 1.00 1.00 N ATOM 306 CA PRO A 20 4.989 -26.831 8.173 1.00 1.00 C ATOM 307 C PRO A 20 4.584 -27.782 7.044 1.00 1.00 C ATOM 308 O PRO A 20 5.321 -28.747 6.794 1.00 1.00 O ATOM 309 CB PRO A 20 4.459 -27.262 9.531 1.00 1.00 C ATOM 310 CG PRO A 20 3.265 -26.365 9.817 1.00 1.00 C ATOM 311 CD PRO A 20 3.306 -25.208 8.832 1.00 1.00 C ATOM 0 HA PRO A 20 6.079 -26.840 8.164 1.00 1.00 H new ATOM 0 HB2 PRO A 20 4.165 -28.312 9.520 1.00 1.00 H new ATOM 0 HB3 PRO A 20 5.223 -27.153 10.301 1.00 1.00 H new ATOM 0 HG2 PRO A 20 2.334 -26.923 9.712 1.00 1.00 H new ATOM 0 HG3 PRO A 20 3.302 -25.996 10.842 1.00 1.00 H new ATOM 0 HD2 PRO A 20 2.377 -25.137 8.266 1.00 1.00 H new ATOM 0 HD3 PRO A 20 3.440 -24.256 9.345 1.00 1.00 H new ATOM 319 N GLY A 21 3.440 -27.496 6.397 1.00 1.00 N ATOM 320 CA GLY A 21 2.946 -28.319 5.307 1.00 1.00 C ATOM 321 C GLY A 21 2.245 -29.552 5.882 1.00 1.00 C ATOM 322 O GLY A 21 2.814 -30.189 6.780 1.00 1.00 O ATOM 0 H GLY A 21 2.847 -26.696 6.620 1.00 1.00 H new ATOM 0 HA2 GLY A 21 2.253 -27.747 4.690 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.771 -28.623 4.663 1.00 1.00 H new ATOM 326 N ILE A 22 1.043 -29.858 5.362 1.00 1.00 N ATOM 327 CA ILE A 22 0.274 -31.003 5.820 1.00 1.00 C ATOM 328 C ILE A 22 1.171 -31.907 6.668 1.00 1.00 C ATOM 329 O ILE A 22 1.010 -31.913 7.897 1.00 1.00 O ATOM 330 CB ILE A 22 -0.379 -31.719 4.636 1.00 1.00 C ATOM 331 CG1 ILE A 22 -0.065 -31.002 3.322 1.00 1.00 C ATOM 332 CG2 ILE A 22 -1.884 -31.881 4.856 1.00 1.00 C ATOM 333 CD1 ILE A 22 -0.504 -31.842 2.121 1.00 1.00 C ATOM 0 H ILE A 22 0.592 -29.319 4.623 1.00 1.00 H new ATOM 0 HA ILE A 22 -0.548 -30.679 6.458 1.00 1.00 H new ATOM 0 HB ILE A 22 0.045 -32.721 4.565 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -0.571 -30.037 3.300 1.00 1.00 H new ATOM 0 HG13 ILE A 22 1.005 -30.802 3.259 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -2.324 -32.393 4.000 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -2.059 -32.467 5.758 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -2.343 -30.899 4.967 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -0.269 -31.309 1.199 1.00 1.00 H new ATOM 0 HD12 ILE A 22 0.022 -32.796 2.133 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -1.578 -32.019 2.174 1.00 1.00 H new ATOM 345 N CYS A 23 2.084 -32.641 6.005 1.00 1.00 N ATOM 346 CA CYS A 23 2.995 -33.539 6.693 1.00 1.00 C ATOM 347 C CYS A 23 3.205 -33.047 8.127 1.00 1.00 C ATOM 348 O CYS A 23 3.296 -31.826 8.324 1.00 1.00 O ATOM 349 CB CYS A 23 4.318 -33.669 5.936 1.00 1.00 C ATOM 350 SG CYS A 23 4.574 -32.432 4.630 1.00 1.00 S ATOM 0 H CYS A 23 2.201 -32.621 4.992 1.00 1.00 H new ATOM 0 HA CYS A 23 2.558 -34.537 6.730 1.00 1.00 H new ATOM 0 HB2 CYS A 23 5.138 -33.597 6.651 1.00 1.00 H new ATOM 0 HB3 CYS A 23 4.369 -34.663 5.491 1.00 1.00 H new ATOM 0 HG CYS A 23 5.724 -32.636 4.059 1.00 1.00 H new ATOM 356 N ARG A 24 3.275 -33.990 9.083 1.00 1.00 N ATOM 357 CA ARG A 24 3.472 -33.654 10.483 1.00 1.00 C ATOM 358 C ARG A 24 4.875 -34.086 10.915 1.00 1.00 C ATOM 359 O ARG A 24 5.086 -34.284 12.120 1.00 1.00 O ATOM 360 CB ARG A 24 2.437 -34.339 11.378 1.00 1.00 C ATOM 361 CG ARG A 24 2.124 -35.750 10.874 1.00 1.00 C ATOM 362 CD ARG A 24 3.388 -36.611 10.836 1.00 1.00 C ATOM 363 NE ARG A 24 3.046 -37.993 10.433 1.00 1.00 N ATOM 364 CZ ARG A 24 2.476 -38.902 11.253 1.00 1.00 C ATOM 365 NH1 ARG A 24 2.192 -38.550 12.514 1.00 1.00 N ATOM 366 NH2 ARG A 24 2.197 -40.136 10.812 1.00 1.00 N ATOM 0 H ARG A 24 3.197 -34.990 8.899 1.00 1.00 H new ATOM 0 HA ARG A 24 3.354 -32.576 10.591 1.00 1.00 H new ATOM 0 HB2 ARG A 24 2.811 -34.389 12.400 1.00 1.00 H new ATOM 0 HB3 ARG A 24 1.523 -33.746 11.402 1.00 1.00 H new ATOM 0 HG2 ARG A 24 1.382 -36.215 11.523 1.00 1.00 H new ATOM 0 HG3 ARG A 24 1.687 -35.695 9.877 1.00 1.00 H new ATOM 0 HD2 ARG A 24 4.107 -36.186 10.135 1.00 1.00 H new ATOM 0 HD3 ARG A 24 3.864 -36.616 11.817 1.00 1.00 H new ATOM 0 HE ARG A 24 3.254 -38.277 9.476 1.00 1.00 H new ATOM 0 HH11 ARG A 24 2.406 -37.608 12.841 1.00 1.00 H new ATOM 0 HH12 ARG A 24 1.761 -39.224 13.147 1.00 1.00 H new ATOM 0 HH21 ARG A 24 2.415 -40.395 9.850 1.00 1.00 H new ATOM 0 HH22 ARG A 24 1.766 -40.816 11.438 1.00 1.00 H new ATOM 380 N GLY A 25 5.790 -34.221 9.938 1.00 1.00 N ATOM 381 CA GLY A 25 7.158 -34.625 10.216 1.00 1.00 C ATOM 382 C GLY A 25 7.875 -33.501 10.967 1.00 1.00 C ATOM 383 O GLY A 25 8.855 -32.964 10.430 1.00 1.00 O ATOM 0 H GLY A 25 5.595 -34.053 8.951 1.00 1.00 H new ATOM 0 HA2 GLY A 25 7.166 -35.538 10.811 1.00 1.00 H new ATOM 0 HA3 GLY A 25 7.680 -34.847 9.285 1.00 1.00 H new ATOM 387 N TYR A 26 7.381 -33.173 12.175 1.00 1.00 N ATOM 388 CA TYR A 26 8.014 -32.110 12.937 1.00 1.00 C ATOM 389 C TYR A 26 9.530 -32.317 12.930 1.00 1.00 C ATOM 390 O TYR A 26 9.960 -33.479 12.977 1.00 1.00 O ATOM 391 CB TYR A 26 7.445 -32.085 14.368 1.00 1.00 C ATOM 392 CG TYR A 26 5.963 -31.749 14.452 1.00 1.00 C ATOM 393 CD1 TYR A 26 5.282 -31.264 13.312 1.00 1.00 C ATOM 394 CD2 TYR A 26 5.257 -31.925 15.665 1.00 1.00 C ATOM 395 CE1 TYR A 26 3.907 -30.954 13.384 1.00 1.00 C ATOM 396 CE2 TYR A 26 3.882 -31.615 15.737 1.00 1.00 C ATOM 397 CZ TYR A 26 3.206 -31.128 14.597 1.00 1.00 C ATOM 398 OH TYR A 26 1.875 -30.826 14.663 1.00 1.00 O ATOM 0 H TYR A 26 6.577 -33.615 12.621 1.00 1.00 H new ATOM 0 HA TYR A 26 7.803 -31.142 12.482 1.00 1.00 H new ATOM 0 HB2 TYR A 26 7.610 -33.059 14.828 1.00 1.00 H new ATOM 0 HB3 TYR A 26 8.004 -31.356 14.955 1.00 1.00 H new ATOM 0 HD1 TYR A 26 5.816 -31.130 12.383 1.00 1.00 H new ATOM 0 HD2 TYR A 26 5.772 -32.298 16.538 1.00 1.00 H new ATOM 0 HE1 TYR A 26 3.391 -30.583 12.511 1.00 1.00 H new ATOM 0 HE2 TYR A 26 3.346 -31.750 16.665 1.00 1.00 H new ATOM 0 HH TYR A 26 1.544 -31.003 15.568 1.00 1.00 H new ATOM 408 N ILE A 27 10.296 -31.213 12.863 1.00 1.00 N ATOM 409 CA ILE A 27 11.747 -31.283 12.838 1.00 1.00 C ATOM 410 C ILE A 27 12.323 -30.113 13.639 1.00 1.00 C ATOM 411 O ILE A 27 13.497 -29.776 13.427 1.00 1.00 O ATOM 412 CB ILE A 27 12.255 -31.352 11.397 1.00 1.00 C ATOM 413 CG1 ILE A 27 11.306 -32.169 10.519 1.00 1.00 C ATOM 414 CG2 ILE A 27 13.688 -31.888 11.346 1.00 1.00 C ATOM 415 CD1 ILE A 27 12.020 -32.679 9.266 1.00 1.00 C ATOM 0 H ILE A 27 9.922 -30.265 12.826 1.00 1.00 H new ATOM 0 HA ILE A 27 12.093 -32.199 13.317 1.00 1.00 H new ATOM 0 HB ILE A 27 12.275 -30.340 10.993 1.00 1.00 H new ATOM 0 HG12 ILE A 27 10.915 -33.013 11.088 1.00 1.00 H new ATOM 0 HG13 ILE A 27 10.452 -31.555 10.231 1.00 1.00 H new ATOM 0 HG21 ILE A 27 14.025 -31.927 10.310 1.00 1.00 H new ATOM 0 HG22 ILE A 27 14.343 -31.230 11.916 1.00 1.00 H new ATOM 0 HG23 ILE A 27 13.717 -32.890 11.775 1.00 1.00 H new ATOM 0 HD11 ILE A 27 11.322 -33.257 8.659 1.00 1.00 H new ATOM 0 HD12 ILE A 27 12.389 -31.832 8.687 1.00 1.00 H new ATOM 0 HD13 ILE A 27 12.858 -33.312 9.557 1.00 1.00 H new ATOM 427 N THR A 28 11.500 -29.528 14.527 1.00 1.00 N ATOM 428 CA THR A 28 11.925 -28.408 15.349 1.00 1.00 C ATOM 429 C THR A 28 12.750 -27.440 14.498 1.00 1.00 C ATOM 430 O THR A 28 13.890 -27.141 14.882 1.00 1.00 O ATOM 431 CB THR A 28 12.686 -28.951 16.560 1.00 1.00 C ATOM 432 OG1 THR A 28 11.660 -29.371 17.455 1.00 1.00 O ATOM 433 CG2 THR A 28 13.425 -27.854 17.328 1.00 1.00 C ATOM 0 H THR A 28 10.536 -29.822 14.686 1.00 1.00 H new ATOM 0 HA THR A 28 11.073 -27.843 15.727 1.00 1.00 H new ATOM 0 HB THR A 28 13.400 -29.706 16.231 1.00 1.00 H new ATOM 0 HG1 THR A 28 12.065 -29.739 18.268 1.00 1.00 H new ATOM 0 HG21 THR A 28 13.948 -28.294 18.177 1.00 1.00 H new ATOM 0 HG22 THR A 28 14.146 -27.371 16.669 1.00 1.00 H new ATOM 0 HG23 THR A 28 12.708 -27.115 17.686 1.00 1.00 H new ATOM 441 N ARG A 29 12.168 -26.978 13.377 1.00 1.00 N ATOM 442 CA ARG A 29 12.844 -26.054 12.482 1.00 1.00 C ATOM 443 C ARG A 29 12.639 -24.623 12.983 1.00 1.00 C ATOM 444 O ARG A 29 12.021 -24.453 14.045 1.00 1.00 O ATOM 445 CB ARG A 29 12.316 -26.166 11.051 1.00 1.00 C ATOM 446 CG ARG A 29 12.686 -27.517 10.434 1.00 1.00 C ATOM 447 CD ARG A 29 14.202 -27.651 10.277 1.00 1.00 C ATOM 448 NE ARG A 29 14.531 -28.933 9.615 1.00 1.00 N ATOM 449 CZ ARG A 29 15.713 -29.572 9.746 1.00 1.00 C ATOM 450 NH1 ARG A 29 16.662 -29.029 10.521 1.00 1.00 N ATOM 451 NH2 ARG A 29 15.934 -30.731 9.112 1.00 1.00 N ATOM 0 H ARG A 29 11.228 -27.237 13.079 1.00 1.00 H new ATOM 0 HA ARG A 29 13.904 -26.308 12.473 1.00 1.00 H new ATOM 0 HB2 ARG A 29 11.233 -26.046 11.049 1.00 1.00 H new ATOM 0 HB3 ARG A 29 12.727 -25.360 10.444 1.00 1.00 H new ATOM 0 HG2 ARG A 29 12.309 -28.324 11.063 1.00 1.00 H new ATOM 0 HG3 ARG A 29 12.205 -27.620 9.461 1.00 1.00 H new ATOM 0 HD2 ARG A 29 14.590 -26.819 9.690 1.00 1.00 H new ATOM 0 HD3 ARG A 29 14.683 -27.603 11.254 1.00 1.00 H new ATOM 0 HE ARG A 29 13.820 -29.361 9.022 1.00 1.00 H new ATOM 0 HH11 ARG A 29 16.485 -28.146 11.001 1.00 1.00 H new ATOM 0 HH12 ARG A 29 17.561 -29.498 10.631 1.00 1.00 H new ATOM 0 HH21 ARG A 29 15.206 -31.138 8.524 1.00 1.00 H new ATOM 0 HH22 ARG A 29 16.830 -31.207 9.217 1.00 1.00 H new ATOM 465 N TYR A 30 13.151 -23.639 12.223 1.00 1.00 N ATOM 466 CA TYR A 30 12.993 -22.258 12.646 1.00 1.00 C ATOM 467 C TYR A 30 12.424 -21.436 11.488 1.00 1.00 C ATOM 468 O TYR A 30 12.608 -21.850 10.334 1.00 1.00 O ATOM 469 CB TYR A 30 14.345 -21.704 13.132 1.00 1.00 C ATOM 470 CG TYR A 30 14.938 -22.441 14.325 1.00 1.00 C ATOM 471 CD1 TYR A 30 15.360 -23.784 14.199 1.00 1.00 C ATOM 472 CD2 TYR A 30 15.063 -21.784 15.571 1.00 1.00 C ATOM 473 CE1 TYR A 30 15.906 -24.464 15.309 1.00 1.00 C ATOM 474 CE2 TYR A 30 15.608 -22.463 16.681 1.00 1.00 C ATOM 475 CZ TYR A 30 16.031 -23.804 16.551 1.00 1.00 C ATOM 476 OH TYR A 30 16.559 -24.458 17.628 1.00 1.00 O ATOM 0 H TYR A 30 13.657 -23.776 11.348 1.00 1.00 H new ATOM 0 HA TYR A 30 12.293 -22.197 13.480 1.00 1.00 H new ATOM 0 HB2 TYR A 30 15.057 -21.742 12.307 1.00 1.00 H new ATOM 0 HB3 TYR A 30 14.219 -20.654 13.396 1.00 1.00 H new ATOM 0 HD1 TYR A 30 15.264 -24.292 13.251 1.00 1.00 H new ATOM 0 HD2 TYR A 30 14.740 -20.759 15.673 1.00 1.00 H new ATOM 0 HE1 TYR A 30 16.228 -25.490 15.208 1.00 1.00 H new ATOM 0 HE2 TYR A 30 15.702 -21.957 17.631 1.00 1.00 H new ATOM 0 HH TYR A 30 16.192 -25.366 17.672 1.00 1.00 H new ATOM 486 N PHE A 31 11.749 -20.317 11.809 1.00 1.00 N ATOM 487 CA PHE A 31 11.153 -19.462 10.797 1.00 1.00 C ATOM 488 C PHE A 31 11.105 -18.023 11.316 1.00 1.00 C ATOM 489 O PHE A 31 10.964 -17.840 12.534 1.00 1.00 O ATOM 490 CB PHE A 31 9.736 -19.973 10.470 1.00 1.00 C ATOM 491 CG PHE A 31 8.665 -19.558 11.471 1.00 1.00 C ATOM 492 CD1 PHE A 31 8.565 -20.221 12.716 1.00 1.00 C ATOM 493 CD2 PHE A 31 7.771 -18.507 11.165 1.00 1.00 C ATOM 494 CE1 PHE A 31 7.576 -19.836 13.647 1.00 1.00 C ATOM 495 CE2 PHE A 31 6.782 -18.123 12.097 1.00 1.00 C ATOM 496 CZ PHE A 31 6.685 -18.788 13.337 1.00 1.00 C ATOM 0 H PHE A 31 11.609 -19.994 12.766 1.00 1.00 H new ATOM 0 HA PHE A 31 11.751 -19.484 9.886 1.00 1.00 H new ATOM 0 HB2 PHE A 31 9.452 -19.610 9.482 1.00 1.00 H new ATOM 0 HB3 PHE A 31 9.760 -21.061 10.414 1.00 1.00 H new ATOM 0 HD1 PHE A 31 9.247 -21.024 12.955 1.00 1.00 H new ATOM 0 HD2 PHE A 31 7.844 -17.996 10.216 1.00 1.00 H new ATOM 0 HE1 PHE A 31 7.502 -20.344 14.597 1.00 1.00 H new ATOM 0 HE2 PHE A 31 6.100 -17.320 11.860 1.00 1.00 H new ATOM 0 HZ PHE A 31 5.928 -18.494 14.049 1.00 1.00 H new ATOM 506 N TYR A 32 11.222 -17.047 10.398 1.00 1.00 N ATOM 507 CA TYR A 32 11.188 -15.660 10.826 1.00 1.00 C ATOM 508 C TYR A 32 9.733 -15.215 10.988 1.00 1.00 C ATOM 509 O TYR A 32 9.015 -15.195 9.977 1.00 1.00 O ATOM 510 CB TYR A 32 11.947 -14.782 9.814 1.00 1.00 C ATOM 511 CG TYR A 32 12.365 -13.419 10.348 1.00 1.00 C ATOM 512 CD1 TYR A 32 13.583 -13.268 11.050 1.00 1.00 C ATOM 513 CD2 TYR A 32 11.530 -12.295 10.149 1.00 1.00 C ATOM 514 CE1 TYR A 32 13.964 -12.003 11.546 1.00 1.00 C ATOM 515 CE2 TYR A 32 11.912 -11.031 10.644 1.00 1.00 C ATOM 516 CZ TYR A 32 13.129 -10.883 11.343 1.00 1.00 C ATOM 517 OH TYR A 32 13.495 -9.656 11.820 1.00 1.00 O ATOM 0 H TYR A 32 11.336 -17.195 9.395 1.00 1.00 H new ATOM 0 HA TYR A 32 11.684 -15.553 11.791 1.00 1.00 H new ATOM 0 HB2 TYR A 32 12.837 -15.317 9.484 1.00 1.00 H new ATOM 0 HB3 TYR A 32 11.319 -14.637 8.935 1.00 1.00 H new ATOM 0 HD1 TYR A 32 14.224 -14.123 11.207 1.00 1.00 H new ATOM 0 HD2 TYR A 32 10.597 -12.405 9.616 1.00 1.00 H new ATOM 0 HE1 TYR A 32 14.895 -11.892 12.081 1.00 1.00 H new ATOM 0 HE2 TYR A 32 11.272 -10.175 10.488 1.00 1.00 H new ATOM 0 HH TYR A 32 13.376 -9.634 12.793 1.00 1.00 H new ATOM 527 N ASN A 33 9.330 -14.884 12.227 1.00 1.00 N ATOM 528 CA ASN A 33 7.970 -14.457 12.507 1.00 1.00 C ATOM 529 C ASN A 33 7.923 -12.929 12.580 1.00 1.00 C ATOM 530 O ASN A 33 8.649 -12.356 13.406 1.00 1.00 O ATOM 531 CB ASN A 33 7.484 -15.009 13.848 1.00 1.00 C ATOM 532 CG ASN A 33 6.131 -14.406 14.232 1.00 1.00 C ATOM 533 OD1 ASN A 33 5.470 -13.748 13.446 1.00 1.00 O ATOM 534 ND2 ASN A 33 5.757 -14.667 15.481 1.00 1.00 N ATOM 0 H ASN A 33 9.938 -14.908 13.046 1.00 1.00 H new ATOM 0 HA ASN A 33 7.329 -14.832 11.709 1.00 1.00 H new ATOM 0 HB2 ASN A 33 7.399 -16.094 13.789 1.00 1.00 H new ATOM 0 HB3 ASN A 33 8.218 -14.788 14.623 1.00 1.00 H new ATOM 0 HD21 ASN A 33 4.869 -14.309 15.833 1.00 1.00 H new ATOM 0 HD22 ASN A 33 6.358 -15.225 16.087 1.00 1.00 H new ATOM 541 N ASN A 34 7.085 -12.311 11.729 1.00 1.00 N ATOM 542 CA ASN A 34 6.948 -10.865 11.697 1.00 1.00 C ATOM 543 C ASN A 34 6.331 -10.387 13.013 1.00 1.00 C ATOM 544 O ASN A 34 6.682 -9.287 13.464 1.00 1.00 O ATOM 545 CB ASN A 34 6.030 -10.423 10.556 1.00 1.00 C ATOM 546 CG ASN A 34 5.629 -8.955 10.712 1.00 1.00 C ATOM 547 OD1 ASN A 34 4.785 -8.597 11.517 1.00 1.00 O ATOM 548 ND2 ASN A 34 6.279 -8.128 9.899 1.00 1.00 N ATOM 0 H ASN A 34 6.496 -12.802 11.057 1.00 1.00 H new ATOM 0 HA ASN A 34 7.939 -10.436 11.549 1.00 1.00 H new ATOM 0 HB2 ASN A 34 6.536 -10.566 9.601 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.137 -11.048 10.540 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.083 -7.127 9.926 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.974 -8.494 9.248 1.00 1.00 H new ATOM 555 N GLN A 35 5.438 -11.209 13.593 1.00 1.00 N ATOM 556 CA GLN A 35 4.780 -10.872 14.844 1.00 1.00 C ATOM 557 C GLN A 35 5.833 -10.714 15.943 1.00 1.00 C ATOM 558 O GLN A 35 5.526 -10.091 16.969 1.00 1.00 O ATOM 559 CB GLN A 35 3.738 -11.923 15.232 1.00 1.00 C ATOM 560 CG GLN A 35 2.355 -11.289 15.394 1.00 1.00 C ATOM 561 CD GLN A 35 2.432 -10.011 16.232 1.00 1.00 C ATOM 562 OE1 GLN A 35 2.572 -8.911 15.721 1.00 1.00 O ATOM 563 NE2 GLN A 35 2.335 -10.215 17.542 1.00 1.00 N ATOM 0 H GLN A 35 5.163 -12.111 13.205 1.00 1.00 H new ATOM 0 HA GLN A 35 4.248 -9.929 14.716 1.00 1.00 H new ATOM 0 HB2 GLN A 35 3.699 -12.700 14.469 1.00 1.00 H new ATOM 0 HB3 GLN A 35 4.032 -12.406 16.164 1.00 1.00 H new ATOM 0 HG2 GLN A 35 1.939 -11.060 14.413 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.679 -12.000 15.869 1.00 1.00 H new ATOM 0 HE21 GLN A 35 2.219 -11.162 17.904 1.00 1.00 H new ATOM 0 HE22 GLN A 35 2.376 -9.425 18.186 1.00 1.00 H new ATOM 572 N THR A 36 7.035 -11.271 15.709 1.00 1.00 N ATOM 573 CA THR A 36 8.121 -11.192 16.672 1.00 1.00 C ATOM 574 C THR A 36 9.365 -10.625 15.986 1.00 1.00 C ATOM 575 O THR A 36 10.437 -10.633 16.608 1.00 1.00 O ATOM 576 CB THR A 36 8.339 -12.580 17.277 1.00 1.00 C ATOM 577 OG1 THR A 36 7.276 -12.721 18.216 1.00 1.00 O ATOM 578 CG2 THR A 36 9.605 -12.652 18.135 1.00 1.00 C ATOM 0 H THR A 36 7.268 -11.779 14.856 1.00 1.00 H new ATOM 0 HA THR A 36 7.882 -10.515 17.492 1.00 1.00 H new ATOM 0 HB THR A 36 8.399 -13.319 16.478 1.00 1.00 H new ATOM 0 HG1 THR A 36 7.340 -13.595 18.654 1.00 1.00 H new ATOM 0 HG21 THR A 36 9.713 -13.658 18.541 1.00 1.00 H new ATOM 0 HG22 THR A 36 10.474 -12.413 17.522 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.531 -11.937 18.954 1.00 1.00 H new ATOM 586 N LYS A 37 9.202 -10.153 14.737 1.00 1.00 N ATOM 587 CA LYS A 37 10.304 -9.590 13.976 1.00 1.00 C ATOM 588 C LYS A 37 11.590 -10.348 14.312 1.00 1.00 C ATOM 589 O LYS A 37 12.624 -9.695 14.516 1.00 1.00 O ATOM 590 CB LYS A 37 10.401 -8.081 14.212 1.00 1.00 C ATOM 591 CG LYS A 37 9.125 -7.372 13.755 1.00 1.00 C ATOM 592 CD LYS A 37 8.342 -6.827 14.952 1.00 1.00 C ATOM 593 CE LYS A 37 9.055 -5.622 15.570 1.00 1.00 C ATOM 594 NZ LYS A 37 8.209 -4.994 16.598 1.00 1.00 N ATOM 0 H LYS A 37 8.310 -10.156 14.242 1.00 1.00 H new ATOM 0 HA LYS A 37 10.131 -9.713 12.907 1.00 1.00 H new ATOM 0 HB2 LYS A 37 10.571 -7.885 15.271 1.00 1.00 H new ATOM 0 HB3 LYS A 37 11.258 -7.679 13.672 1.00 1.00 H new ATOM 0 HG2 LYS A 37 9.380 -6.555 13.080 1.00 1.00 H new ATOM 0 HG3 LYS A 37 8.500 -8.066 13.193 1.00 1.00 H new ATOM 0 HD2 LYS A 37 7.340 -6.538 14.635 1.00 1.00 H new ATOM 0 HD3 LYS A 37 8.226 -7.609 15.702 1.00 1.00 H new ATOM 0 HE2 LYS A 37 10.000 -5.938 16.012 1.00 1.00 H new ATOM 0 HE3 LYS A 37 9.294 -4.895 14.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 8.708 -4.178 17.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 7.318 -4.675 16.167 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 8.003 -5.685 17.347 1.00 1.00 H new ATOM 608 N GLN A 38 11.502 -11.689 14.362 1.00 1.00 N ATOM 609 CA GLN A 38 12.650 -12.525 14.670 1.00 1.00 C ATOM 610 C GLN A 38 12.397 -13.943 14.154 1.00 1.00 C ATOM 611 O GLN A 38 11.520 -14.109 13.293 1.00 1.00 O ATOM 612 CB GLN A 38 12.953 -12.534 16.170 1.00 1.00 C ATOM 613 CG GLN A 38 14.379 -12.050 16.444 1.00 1.00 C ATOM 614 CD GLN A 38 14.429 -11.176 17.698 1.00 1.00 C ATOM 615 OE1 GLN A 38 13.897 -10.079 17.743 1.00 1.00 O ATOM 616 NE2 GLN A 38 15.097 -11.720 18.711 1.00 1.00 N ATOM 0 H GLN A 38 10.640 -12.207 14.191 1.00 1.00 H new ATOM 0 HA GLN A 38 13.527 -12.111 14.171 1.00 1.00 H new ATOM 0 HB2 GLN A 38 12.241 -11.895 16.692 1.00 1.00 H new ATOM 0 HB3 GLN A 38 12.825 -13.542 16.565 1.00 1.00 H new ATOM 0 HG2 GLN A 38 15.041 -12.907 16.567 1.00 1.00 H new ATOM 0 HG3 GLN A 38 14.746 -11.485 15.587 1.00 1.00 H new ATOM 0 HE21 GLN A 38 15.519 -12.643 18.607 1.00 1.00 H new ATOM 0 HE22 GLN A 38 15.188 -11.214 19.592 1.00 1.00 H new ATOM 625 N CYS A 39 13.156 -14.920 14.680 1.00 1.00 N ATOM 626 CA CYS A 39 13.014 -16.309 14.275 1.00 1.00 C ATOM 627 C CYS A 39 12.439 -17.119 15.439 1.00 1.00 C ATOM 628 O CYS A 39 13.023 -17.077 16.532 1.00 1.00 O ATOM 629 CB CYS A 39 14.346 -16.880 13.785 1.00 1.00 C ATOM 630 SG CYS A 39 14.858 -16.313 12.137 1.00 1.00 S ATOM 0 H CYS A 39 13.873 -14.762 15.388 1.00 1.00 H new ATOM 0 HA CYS A 39 12.322 -16.371 13.435 1.00 1.00 H new ATOM 0 HB2 CYS A 39 15.124 -16.617 14.502 1.00 1.00 H new ATOM 0 HB3 CYS A 39 14.277 -17.968 13.774 1.00 1.00 H new ATOM 636 N GLU A 40 11.324 -17.828 15.186 1.00 1.00 N ATOM 637 CA GLU A 40 10.680 -18.638 16.206 1.00 1.00 C ATOM 638 C GLU A 40 10.845 -20.118 15.855 1.00 1.00 C ATOM 639 O GLU A 40 10.814 -20.448 14.660 1.00 1.00 O ATOM 640 CB GLU A 40 9.202 -18.274 16.363 1.00 1.00 C ATOM 641 CG GLU A 40 8.924 -17.695 17.751 1.00 1.00 C ATOM 642 CD GLU A 40 8.119 -18.677 18.604 1.00 1.00 C ATOM 643 OE1 GLU A 40 6.856 -18.713 18.348 1.00 1.00 O ATOM 644 OE2 GLU A 40 8.690 -19.364 19.465 1.00 1.00 O ATOM 0 H GLU A 40 10.859 -17.849 14.279 1.00 1.00 H new ATOM 0 HA GLU A 40 11.160 -18.439 17.164 1.00 1.00 H new ATOM 0 HB2 GLU A 40 8.919 -17.549 15.600 1.00 1.00 H new ATOM 0 HB3 GLU A 40 8.587 -19.160 16.205 1.00 1.00 H new ATOM 0 HG2 GLU A 40 9.866 -17.464 18.248 1.00 1.00 H new ATOM 0 HG3 GLU A 40 8.376 -16.758 17.655 1.00 1.00 H new ATOM 651 N ARG A 41 11.015 -20.966 16.885 1.00 1.00 N ATOM 652 CA ARG A 41 11.183 -22.396 16.686 1.00 1.00 C ATOM 653 C ARG A 41 9.831 -23.020 16.333 1.00 1.00 C ATOM 654 O ARG A 41 8.911 -22.937 17.160 1.00 1.00 O ATOM 655 CB ARG A 41 11.741 -23.077 17.937 1.00 1.00 C ATOM 656 CG ARG A 41 13.104 -23.711 17.654 1.00 1.00 C ATOM 657 CD ARG A 41 13.996 -23.671 18.897 1.00 1.00 C ATOM 658 NE ARG A 41 13.182 -23.902 20.112 1.00 1.00 N ATOM 659 CZ ARG A 41 12.749 -25.116 20.514 1.00 1.00 C ATOM 660 NH1 ARG A 41 13.066 -26.193 19.783 1.00 1.00 N ATOM 661 NH2 ARG A 41 12.015 -25.241 21.628 1.00 1.00 N ATOM 0 H ARG A 41 11.038 -20.674 17.862 1.00 1.00 H new ATOM 0 HA ARG A 41 11.895 -22.543 15.874 1.00 1.00 H new ATOM 0 HB2 ARG A 41 11.835 -22.347 18.741 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.044 -23.842 18.280 1.00 1.00 H new ATOM 0 HG2 ARG A 41 12.969 -24.744 17.332 1.00 1.00 H new ATOM 0 HG3 ARG A 41 13.592 -23.183 16.835 1.00 1.00 H new ATOM 0 HD2 ARG A 41 14.774 -24.430 18.821 1.00 1.00 H new ATOM 0 HD3 ARG A 41 14.498 -22.706 18.964 1.00 1.00 H new ATOM 0 HE ARG A 41 12.933 -23.093 20.681 1.00 1.00 H new ATOM 0 HH11 ARG A 41 13.626 -26.088 18.937 1.00 1.00 H new ATOM 0 HH12 ARG A 41 12.747 -27.118 20.072 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.780 -24.416 22.179 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.692 -26.162 21.925 1.00 1.00 H new ATOM 675 N PHE A 42 9.740 -23.621 15.134 1.00 1.00 N ATOM 676 CA PHE A 42 8.512 -24.251 14.680 1.00 1.00 C ATOM 677 C PHE A 42 8.844 -25.599 14.036 1.00 1.00 C ATOM 678 O PHE A 42 9.894 -25.700 13.386 1.00 1.00 O ATOM 679 CB PHE A 42 7.807 -23.323 13.673 1.00 1.00 C ATOM 680 CG PHE A 42 8.231 -23.520 12.223 1.00 1.00 C ATOM 681 CD1 PHE A 42 9.563 -23.250 11.832 1.00 1.00 C ATOM 682 CD2 PHE A 42 7.300 -23.978 11.262 1.00 1.00 C ATOM 683 CE1 PHE A 42 9.959 -23.436 10.490 1.00 1.00 C ATOM 684 CE2 PHE A 42 7.697 -24.164 9.921 1.00 1.00 C ATOM 685 CZ PHE A 42 9.027 -23.892 9.535 1.00 1.00 C ATOM 0 H PHE A 42 10.511 -23.678 14.468 1.00 1.00 H new ATOM 0 HA PHE A 42 7.843 -24.423 15.523 1.00 1.00 H new ATOM 0 HB2 PHE A 42 6.731 -23.479 13.747 1.00 1.00 H new ATOM 0 HB3 PHE A 42 7.999 -22.288 13.956 1.00 1.00 H new ATOM 0 HD1 PHE A 42 10.279 -22.901 12.562 1.00 1.00 H new ATOM 0 HD2 PHE A 42 6.282 -24.186 11.556 1.00 1.00 H new ATOM 0 HE1 PHE A 42 10.977 -23.229 10.194 1.00 1.00 H new ATOM 0 HE2 PHE A 42 6.983 -24.514 9.190 1.00 1.00 H new ATOM 0 HZ PHE A 42 9.331 -24.033 8.508 1.00 1.00 H new ATOM 695 N LYS A 43 7.956 -26.592 14.226 1.00 1.00 N ATOM 696 CA LYS A 43 8.154 -27.919 13.668 1.00 1.00 C ATOM 697 C LYS A 43 7.813 -27.896 12.177 1.00 1.00 C ATOM 698 O LYS A 43 6.710 -27.451 11.831 1.00 1.00 O ATOM 699 CB LYS A 43 7.362 -28.958 14.464 1.00 1.00 C ATOM 700 CG LYS A 43 6.014 -28.392 14.915 1.00 1.00 C ATOM 701 CD LYS A 43 6.097 -27.847 16.343 1.00 1.00 C ATOM 702 CE LYS A 43 5.060 -28.516 17.246 1.00 1.00 C ATOM 703 NZ LYS A 43 5.405 -28.315 18.663 1.00 1.00 N ATOM 0 H LYS A 43 7.096 -26.488 14.765 1.00 1.00 H new ATOM 0 HA LYS A 43 9.199 -28.216 13.752 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.201 -29.845 13.852 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.938 -29.271 15.334 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.704 -27.597 14.236 1.00 1.00 H new ATOM 0 HG3 LYS A 43 5.253 -29.171 14.863 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.097 -28.017 16.743 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.936 -26.769 16.335 1.00 1.00 H new ATOM 0 HE2 LYS A 43 4.072 -28.102 17.044 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.010 -29.582 17.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 4.691 -28.775 19.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 6.339 -28.731 18.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 5.429 -27.297 18.873 1.00 1.00 H new ATOM 717 N TYR A 44 8.752 -28.369 11.338 1.00 1.00 N ATOM 718 CA TYR A 44 8.492 -28.371 9.908 1.00 1.00 C ATOM 719 C TYR A 44 7.845 -29.700 9.513 1.00 1.00 C ATOM 720 O TYR A 44 8.484 -30.742 9.717 1.00 1.00 O ATOM 721 CB TYR A 44 9.802 -28.120 9.139 1.00 1.00 C ATOM 722 CG TYR A 44 9.738 -28.458 7.656 1.00 1.00 C ATOM 723 CD1 TYR A 44 8.491 -28.488 6.991 1.00 1.00 C ATOM 724 CD2 TYR A 44 10.922 -28.736 6.934 1.00 1.00 C ATOM 725 CE1 TYR A 44 8.427 -28.797 5.616 1.00 1.00 C ATOM 726 CE2 TYR A 44 10.858 -29.045 5.558 1.00 1.00 C ATOM 727 CZ TYR A 44 9.610 -29.077 4.898 1.00 1.00 C ATOM 728 OH TYR A 44 9.543 -29.377 3.567 1.00 1.00 O ATOM 0 H TYR A 44 9.660 -28.739 11.620 1.00 1.00 H new ATOM 0 HA TYR A 44 7.801 -27.569 9.650 1.00 1.00 H new ATOM 0 HB2 TYR A 44 10.077 -27.071 9.248 1.00 1.00 H new ATOM 0 HB3 TYR A 44 10.597 -28.708 9.599 1.00 1.00 H new ATOM 0 HD1 TYR A 44 7.584 -28.274 7.537 1.00 1.00 H new ATOM 0 HD2 TYR A 44 11.878 -28.712 7.437 1.00 1.00 H new ATOM 0 HE1 TYR A 44 7.472 -28.819 5.112 1.00 1.00 H new ATOM 0 HE2 TYR A 44 11.764 -29.257 5.010 1.00 1.00 H new ATOM 0 HH TYR A 44 10.446 -29.542 3.223 1.00 1.00 H new ATOM 789 N ASN A 50 6.394 -24.300 3.214 1.00 1.00 N ATOM 790 CA ASN A 50 6.765 -23.031 2.612 1.00 1.00 C ATOM 791 C ASN A 50 8.290 -22.918 2.566 1.00 1.00 C ATOM 792 O ASN A 50 8.964 -23.917 2.859 1.00 1.00 O ATOM 793 CB ASN A 50 6.228 -21.855 3.431 1.00 1.00 C ATOM 794 CG ASN A 50 6.866 -21.819 4.821 1.00 1.00 C ATOM 795 OD1 ASN A 50 7.768 -22.577 5.138 1.00 1.00 O ATOM 796 ND2 ASN A 50 6.350 -20.898 5.629 1.00 1.00 N ATOM 0 HA ASN A 50 6.339 -22.997 1.609 1.00 1.00 H new ATOM 0 HB2 ASN A 50 6.432 -20.920 2.909 1.00 1.00 H new ATOM 0 HB3 ASN A 50 5.145 -21.937 3.526 1.00 1.00 H new ATOM 0 HD21 ASN A 50 6.709 -20.794 6.578 1.00 1.00 H new ATOM 0 HD22 ASN A 50 5.596 -20.296 5.300 1.00 1.00 H new ATOM 803 N MET A 51 8.795 -21.725 2.207 1.00 1.00 N ATOM 804 CA MET A 51 10.226 -21.488 2.125 1.00 1.00 C ATOM 805 C MET A 51 10.745 -21.047 3.495 1.00 1.00 C ATOM 806 O MET A 51 11.930 -21.278 3.779 1.00 1.00 O ATOM 807 CB MET A 51 10.527 -20.401 1.091 1.00 1.00 C ATOM 808 CG MET A 51 9.972 -20.782 -0.283 1.00 1.00 C ATOM 809 SD MET A 51 9.002 -19.406 -0.965 1.00 1.00 S ATOM 810 CE MET A 51 7.320 -20.014 -0.643 1.00 1.00 C ATOM 0 H MET A 51 8.222 -20.915 1.971 1.00 1.00 H new ATOM 0 HA MET A 51 10.721 -22.410 1.820 1.00 1.00 H new ATOM 0 HB2 MET A 51 10.090 -19.456 1.414 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.604 -20.248 1.022 1.00 1.00 H new ATOM 0 HG2 MET A 51 10.790 -21.031 -0.959 1.00 1.00 H new ATOM 0 HG3 MET A 51 9.347 -21.671 -0.198 1.00 1.00 H new ATOM 0 HE1 MET A 51 6.605 -19.433 -1.226 1.00 1.00 H new ATOM 0 HE2 MET A 51 7.252 -21.064 -0.928 1.00 1.00 H new ATOM 0 HE3 MET A 51 7.093 -19.910 0.418 1.00 1.00 H new ATOM 820 N ASN A 52 9.864 -20.432 4.303 1.00 1.00 N ATOM 821 CA ASN A 52 10.230 -19.965 5.629 1.00 1.00 C ATOM 822 C ASN A 52 10.388 -21.166 6.563 1.00 1.00 C ATOM 823 O ASN A 52 9.647 -21.244 7.554 1.00 1.00 O ATOM 824 CB ASN A 52 9.148 -19.053 6.211 1.00 1.00 C ATOM 825 CG ASN A 52 9.739 -18.090 7.243 1.00 1.00 C ATOM 826 OD1 ASN A 52 10.892 -17.699 7.176 1.00 1.00 O ATOM 827 ND2 ASN A 52 8.886 -17.731 8.198 1.00 1.00 N ATOM 0 H ASN A 52 8.893 -20.252 4.049 1.00 1.00 H new ATOM 0 HA ASN A 52 11.163 -19.408 5.544 1.00 1.00 H new ATOM 0 HB2 ASN A 52 8.675 -18.487 5.409 1.00 1.00 H new ATOM 0 HB3 ASN A 52 8.370 -19.658 6.676 1.00 1.00 H new ATOM 0 HD21 ASN A 52 9.184 -17.091 8.934 1.00 1.00 H new ATOM 0 HD22 ASN A 52 7.934 -18.096 8.195 1.00 1.00 H new ATOM 834 N ASN A 53 11.335 -22.063 6.235 1.00 1.00 N ATOM 835 CA ASN A 53 11.585 -23.248 7.038 1.00 1.00 C ATOM 836 C ASN A 53 13.094 -23.470 7.156 1.00 1.00 C ATOM 837 O ASN A 53 13.661 -24.144 6.284 1.00 1.00 O ATOM 838 CB ASN A 53 10.974 -24.492 6.391 1.00 1.00 C ATOM 839 CG ASN A 53 11.652 -25.765 6.901 1.00 1.00 C ATOM 840 OD1 ASN A 53 11.636 -26.078 8.080 1.00 1.00 O ATOM 841 ND2 ASN A 53 12.247 -26.479 5.950 1.00 1.00 N ATOM 0 H ASN A 53 11.935 -21.979 5.415 1.00 1.00 H new ATOM 0 HA ASN A 53 11.133 -23.092 8.017 1.00 1.00 H new ATOM 0 HB2 ASN A 53 9.907 -24.532 6.608 1.00 1.00 H new ATOM 0 HB3 ASN A 53 11.077 -24.430 5.308 1.00 1.00 H new ATOM 0 HD21 ASN A 53 12.728 -27.346 6.189 1.00 1.00 H new ATOM 0 HD22 ASN A 53 12.222 -26.159 4.982 1.00 1.00 H new ATOM 848 N PHE A 54 13.705 -22.907 8.214 1.00 1.00 N ATOM 849 CA PHE A 54 15.134 -23.043 8.441 1.00 1.00 C ATOM 850 C PHE A 54 15.382 -24.177 9.437 1.00 1.00 C ATOM 851 O PHE A 54 14.416 -24.629 10.069 1.00 1.00 O ATOM 852 CB PHE A 54 15.691 -21.710 8.978 1.00 1.00 C ATOM 853 CG PHE A 54 15.451 -20.510 8.073 1.00 1.00 C ATOM 854 CD1 PHE A 54 16.362 -20.213 7.032 1.00 1.00 C ATOM 855 CD2 PHE A 54 14.314 -19.689 8.260 1.00 1.00 C ATOM 856 CE1 PHE A 54 16.140 -19.104 6.189 1.00 1.00 C ATOM 857 CE2 PHE A 54 14.093 -18.580 7.416 1.00 1.00 C ATOM 858 CZ PHE A 54 15.005 -18.287 6.381 1.00 1.00 C ATOM 0 H PHE A 54 13.220 -22.354 8.921 1.00 1.00 H new ATOM 0 HA PHE A 54 15.643 -23.283 7.507 1.00 1.00 H new ATOM 0 HB2 PHE A 54 15.242 -21.510 9.951 1.00 1.00 H new ATOM 0 HB3 PHE A 54 16.764 -21.818 9.138 1.00 1.00 H new ATOM 0 HD1 PHE A 54 17.230 -20.838 6.882 1.00 1.00 H new ATOM 0 HD2 PHE A 54 13.613 -19.912 9.051 1.00 1.00 H new ATOM 0 HE1 PHE A 54 16.839 -18.880 5.396 1.00 1.00 H new ATOM 0 HE2 PHE A 54 13.225 -17.955 7.563 1.00 1.00 H new ATOM 0 HZ PHE A 54 14.835 -17.438 5.736 1.00 1.00 H new ATOM 868 N GLU A 55 16.651 -24.607 9.556 1.00 1.00 N ATOM 869 CA GLU A 55 17.020 -25.677 10.467 1.00 1.00 C ATOM 870 C GLU A 55 17.589 -25.074 11.752 1.00 1.00 C ATOM 871 O GLU A 55 17.279 -25.592 12.835 1.00 1.00 O ATOM 872 CB GLU A 55 18.018 -26.643 9.825 1.00 1.00 C ATOM 873 CG GLU A 55 17.426 -27.290 8.571 1.00 1.00 C ATOM 874 CD GLU A 55 18.098 -28.633 8.278 1.00 1.00 C ATOM 875 OE1 GLU A 55 19.201 -28.897 8.779 1.00 1.00 O ATOM 876 OE2 GLU A 55 17.433 -29.417 7.500 1.00 1.00 O ATOM 0 H GLU A 55 17.432 -24.221 9.026 1.00 1.00 H new ATOM 0 HA GLU A 55 16.128 -26.256 10.706 1.00 1.00 H new ATOM 0 HB2 GLU A 55 18.932 -26.108 9.566 1.00 1.00 H new ATOM 0 HB3 GLU A 55 18.294 -27.416 10.542 1.00 1.00 H new ATOM 0 HG2 GLU A 55 16.354 -27.437 8.705 1.00 1.00 H new ATOM 0 HG3 GLU A 55 17.552 -26.622 7.719 1.00 1.00 H new ATOM 883 N THR A 56 18.398 -24.008 11.610 1.00 1.00 N ATOM 884 CA THR A 56 19.003 -23.344 12.752 1.00 1.00 C ATOM 885 C THR A 56 18.500 -21.900 12.822 1.00 1.00 C ATOM 886 O THR A 56 18.249 -21.311 11.760 1.00 1.00 O ATOM 887 CB THR A 56 20.524 -23.452 12.631 1.00 1.00 C ATOM 888 OG1 THR A 56 20.771 -23.329 11.232 1.00 1.00 O ATOM 889 CG2 THR A 56 21.042 -24.849 12.979 1.00 1.00 C ATOM 0 H THR A 56 18.641 -23.596 10.709 1.00 1.00 H new ATOM 0 HA THR A 56 18.718 -23.820 13.690 1.00 1.00 H new ATOM 0 HB THR A 56 20.993 -22.718 13.286 1.00 1.00 H new ATOM 0 HG1 THR A 56 21.735 -23.386 11.064 1.00 1.00 H new ATOM 0 HG21 THR A 56 22.127 -24.871 12.877 1.00 1.00 H new ATOM 0 HG22 THR A 56 20.769 -25.093 14.006 1.00 1.00 H new ATOM 0 HG23 THR A 56 20.599 -25.580 12.303 1.00 1.00 H new ATOM 897 N LEU A 57 18.364 -21.369 14.050 1.00 1.00 N ATOM 898 CA LEU A 57 17.896 -20.008 14.252 1.00 1.00 C ATOM 899 C LEU A 57 18.815 -19.040 13.505 1.00 1.00 C ATOM 900 O LEU A 57 18.301 -18.211 12.739 1.00 1.00 O ATOM 901 CB LEU A 57 17.766 -19.703 15.746 1.00 1.00 C ATOM 902 CG LEU A 57 17.094 -18.376 16.104 1.00 1.00 C ATOM 903 CD1 LEU A 57 15.575 -18.537 16.189 1.00 1.00 C ATOM 904 CD2 LEU A 57 17.681 -17.793 17.390 1.00 1.00 C ATOM 0 H LEU A 57 18.575 -21.872 14.912 1.00 1.00 H new ATOM 0 HA LEU A 57 16.896 -19.884 13.836 1.00 1.00 H new ATOM 0 HB2 LEU A 57 17.203 -20.510 16.214 1.00 1.00 H new ATOM 0 HB3 LEU A 57 18.763 -19.713 16.187 1.00 1.00 H new ATOM 0 HG LEU A 57 17.299 -17.663 15.305 1.00 1.00 H new ATOM 0 HD11 LEU A 57 15.121 -17.579 16.445 1.00 1.00 H new ATOM 0 HD12 LEU A 57 15.191 -18.875 15.227 1.00 1.00 H new ATOM 0 HD13 LEU A 57 15.329 -19.271 16.956 1.00 1.00 H new ATOM 0 HD21 LEU A 57 17.186 -16.850 17.621 1.00 1.00 H new ATOM 0 HD22 LEU A 57 17.528 -18.494 18.210 1.00 1.00 H new ATOM 0 HD23 LEU A 57 18.749 -17.619 17.256 1.00 1.00 H new ATOM 916 N GLU A 58 20.135 -19.162 13.736 1.00 1.00 N ATOM 917 CA GLU A 58 21.112 -18.305 13.089 1.00 1.00 C ATOM 918 C GLU A 58 20.910 -18.361 11.573 1.00 1.00 C ATOM 919 O GLU A 58 21.037 -17.313 10.922 1.00 1.00 O ATOM 920 CB GLU A 58 22.542 -18.698 13.466 1.00 1.00 C ATOM 921 CG GLU A 58 23.405 -17.459 13.713 1.00 1.00 C ATOM 922 CD GLU A 58 24.837 -17.852 14.081 1.00 1.00 C ATOM 923 OE1 GLU A 58 25.044 -18.619 15.033 1.00 1.00 O ATOM 924 OE2 GLU A 58 25.754 -17.332 13.338 1.00 1.00 O ATOM 0 H GLU A 58 20.538 -19.852 14.370 1.00 1.00 H new ATOM 0 HA GLU A 58 20.962 -17.282 13.435 1.00 1.00 H new ATOM 0 HB2 GLU A 58 22.528 -19.320 14.361 1.00 1.00 H new ATOM 0 HB3 GLU A 58 22.980 -19.298 12.668 1.00 1.00 H new ATOM 0 HG2 GLU A 58 23.414 -16.834 12.820 1.00 1.00 H new ATOM 0 HG3 GLU A 58 22.970 -16.863 14.515 1.00 1.00 H new ATOM 931 N GLU A 59 20.605 -19.562 11.050 1.00 1.00 N ATOM 932 CA GLU A 59 20.388 -19.749 9.626 1.00 1.00 C ATOM 933 C GLU A 59 19.194 -18.902 9.181 1.00 1.00 C ATOM 934 O GLU A 59 19.310 -18.214 8.156 1.00 1.00 O ATOM 935 CB GLU A 59 20.173 -21.224 9.279 1.00 1.00 C ATOM 936 CG GLU A 59 19.685 -21.383 7.838 1.00 1.00 C ATOM 937 CD GLU A 59 20.608 -22.310 7.045 1.00 1.00 C ATOM 938 OE1 GLU A 59 21.112 -23.285 7.722 1.00 1.00 O ATOM 939 OE2 GLU A 59 20.821 -22.094 5.843 1.00 1.00 O ATOM 0 H GLU A 59 20.506 -20.413 11.604 1.00 1.00 H new ATOM 0 HA GLU A 59 21.280 -19.424 9.091 1.00 1.00 H new ATOM 0 HB2 GLU A 59 21.105 -21.772 9.414 1.00 1.00 H new ATOM 0 HB3 GLU A 59 19.445 -21.660 9.963 1.00 1.00 H new ATOM 0 HG2 GLU A 59 18.672 -21.784 7.836 1.00 1.00 H new ATOM 0 HG3 GLU A 59 19.642 -20.407 7.355 1.00 1.00 H new ATOM 946 N CYS A 60 18.090 -18.966 9.946 1.00 1.00 N ATOM 947 CA CYS A 60 16.890 -18.210 9.632 1.00 1.00 C ATOM 948 C CYS A 60 17.200 -16.714 9.710 1.00 1.00 C ATOM 949 O CYS A 60 16.530 -15.936 9.015 1.00 1.00 O ATOM 950 CB CYS A 60 15.734 -18.602 10.554 1.00 1.00 C ATOM 951 SG CYS A 60 14.233 -17.596 10.365 1.00 1.00 S ATOM 0 H CYS A 60 18.016 -19.539 10.787 1.00 1.00 H new ATOM 0 HA CYS A 60 16.571 -18.445 8.616 1.00 1.00 H new ATOM 0 HB2 CYS A 60 15.480 -19.646 10.371 1.00 1.00 H new ATOM 0 HB3 CYS A 60 16.073 -18.533 11.588 1.00 1.00 H new ATOM 957 N LYS A 61 18.193 -16.347 10.540 1.00 1.00 N ATOM 958 CA LYS A 61 18.584 -14.958 10.705 1.00 1.00 C ATOM 959 C LYS A 61 19.467 -14.538 9.527 1.00 1.00 C ATOM 960 O LYS A 61 19.188 -13.490 8.926 1.00 1.00 O ATOM 961 CB LYS A 61 19.240 -14.745 12.071 1.00 1.00 C ATOM 962 CG LYS A 61 18.312 -15.196 13.200 1.00 1.00 C ATOM 963 CD LYS A 61 18.138 -14.088 14.242 1.00 1.00 C ATOM 964 CE LYS A 61 16.739 -14.132 14.859 1.00 1.00 C ATOM 965 NZ LYS A 61 15.821 -13.252 14.118 1.00 1.00 N ATOM 0 H LYS A 61 18.733 -17.004 11.103 1.00 1.00 H new ATOM 0 HA LYS A 61 17.707 -14.311 10.694 1.00 1.00 H new ATOM 0 HB2 LYS A 61 20.176 -15.302 12.120 1.00 1.00 H new ATOM 0 HB3 LYS A 61 19.489 -13.692 12.199 1.00 1.00 H new ATOM 0 HG2 LYS A 61 17.340 -15.470 12.789 1.00 1.00 H new ATOM 0 HG3 LYS A 61 18.720 -16.088 13.676 1.00 1.00 H new ATOM 0 HD2 LYS A 61 18.888 -14.199 15.025 1.00 1.00 H new ATOM 0 HD3 LYS A 61 18.304 -13.116 13.776 1.00 1.00 H new ATOM 0 HE2 LYS A 61 16.362 -15.154 14.846 1.00 1.00 H new ATOM 0 HE3 LYS A 61 16.786 -13.822 15.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 14.852 -13.383 14.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 16.108 -12.261 14.250 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 15.853 -13.490 13.106 1.00 1.00 H new ATOM 979 N ASN A 62 20.496 -15.350 9.226 1.00 1.00 N ATOM 980 CA ASN A 62 21.407 -15.064 8.131 1.00 1.00 C ATOM 981 C ASN A 62 20.602 -14.811 6.856 1.00 1.00 C ATOM 982 O ASN A 62 20.927 -13.857 6.133 1.00 1.00 O ATOM 983 CB ASN A 62 22.344 -16.246 7.872 1.00 1.00 C ATOM 984 CG ASN A 62 23.699 -15.767 7.346 1.00 1.00 C ATOM 985 OD1 ASN A 62 24.291 -14.826 7.848 1.00 1.00 O ATOM 986 ND2 ASN A 62 24.154 -16.465 6.310 1.00 1.00 N ATOM 0 H ASN A 62 20.708 -16.209 9.734 1.00 1.00 H new ATOM 0 HA ASN A 62 21.997 -14.188 8.403 1.00 1.00 H new ATOM 0 HB2 ASN A 62 22.487 -16.810 8.794 1.00 1.00 H new ATOM 0 HB3 ASN A 62 21.889 -16.924 7.150 1.00 1.00 H new ATOM 0 HD21 ASN A 62 25.050 -16.224 5.886 1.00 1.00 H new ATOM 0 HD22 ASN A 62 23.607 -17.242 5.939 1.00 1.00 H new ATOM 993 N ILE A 63 19.584 -15.655 6.608 1.00 1.00 N ATOM 994 CA ILE A 63 18.743 -15.523 5.431 1.00 1.00 C ATOM 995 C ILE A 63 17.768 -14.361 5.634 1.00 1.00 C ATOM 996 O ILE A 63 17.736 -13.462 4.781 1.00 1.00 O ATOM 997 CB ILE A 63 18.057 -16.852 5.110 1.00 1.00 C ATOM 998 CG1 ILE A 63 19.019 -17.808 4.400 1.00 1.00 C ATOM 999 CG2 ILE A 63 16.775 -16.628 4.306 1.00 1.00 C ATOM 1000 CD1 ILE A 63 19.631 -18.803 5.388 1.00 1.00 C ATOM 0 H ILE A 63 19.333 -16.434 7.216 1.00 1.00 H new ATOM 0 HA ILE A 63 19.348 -15.284 4.556 1.00 1.00 H new ATOM 0 HB ILE A 63 17.769 -17.323 6.050 1.00 1.00 H new ATOM 0 HG12 ILE A 63 18.488 -18.348 3.616 1.00 1.00 H new ATOM 0 HG13 ILE A 63 19.811 -17.238 3.914 1.00 1.00 H new ATOM 0 HG21 ILE A 63 16.308 -17.589 4.091 1.00 1.00 H new ATOM 0 HG22 ILE A 63 16.087 -16.011 4.883 1.00 1.00 H new ATOM 0 HG23 ILE A 63 17.016 -16.125 3.370 1.00 1.00 H new ATOM 0 HD11 ILE A 63 20.310 -19.471 4.858 1.00 1.00 H new ATOM 0 HD12 ILE A 63 20.181 -18.261 6.157 1.00 1.00 H new ATOM 0 HD13 ILE A 63 18.838 -19.388 5.854 1.00 1.00 H new ATOM 1012 N CYS A 64 17.006 -14.402 6.741 1.00 1.00 N ATOM 1013 CA CYS A 64 16.041 -13.360 7.050 1.00 1.00 C ATOM 1014 C CYS A 64 16.773 -12.150 7.634 1.00 1.00 C ATOM 1015 O CYS A 64 17.109 -11.237 6.865 1.00 1.00 O ATOM 1016 CB CYS A 64 14.953 -13.878 7.993 1.00 1.00 C ATOM 1017 SG CYS A 64 14.059 -15.343 7.394 1.00 1.00 S ATOM 0 H CYS A 64 17.048 -15.152 7.431 1.00 1.00 H new ATOM 0 HA CYS A 64 15.538 -13.051 6.134 1.00 1.00 H new ATOM 0 HB2 CYS A 64 15.408 -14.116 8.954 1.00 1.00 H new ATOM 0 HB3 CYS A 64 14.234 -13.078 8.170 1.00 1.00 H new ATOM 1023 N GLU A 65 17.001 -12.165 8.959 1.00 1.00 N ATOM 1024 CA GLU A 65 17.686 -11.077 9.635 1.00 1.00 C ATOM 1025 C GLU A 65 18.716 -10.461 8.686 1.00 1.00 C ATOM 1026 O GLU A 65 18.904 -9.236 8.734 1.00 1.00 O ATOM 1027 CB GLU A 65 18.348 -11.549 10.931 1.00 1.00 C ATOM 1028 CG GLU A 65 17.390 -11.412 12.117 1.00 1.00 C ATOM 1029 CD GLU A 65 18.085 -10.751 13.309 1.00 1.00 C ATOM 1030 OE1 GLU A 65 19.252 -11.057 13.594 1.00 1.00 O ATOM 1031 OE2 GLU A 65 17.368 -9.890 13.949 1.00 1.00 O ATOM 0 H GLU A 65 16.715 -12.926 9.575 1.00 1.00 H new ATOM 0 HA GLU A 65 16.952 -10.320 9.911 1.00 1.00 H new ATOM 0 HB2 GLU A 65 18.658 -12.589 10.828 1.00 1.00 H new ATOM 0 HB3 GLU A 65 19.249 -10.965 11.117 1.00 1.00 H new ATOM 0 HG2 GLU A 65 16.523 -10.820 11.823 1.00 1.00 H new ATOM 0 HG3 GLU A 65 17.021 -12.396 12.406 1.00 1.00 H new ATOM 1038 N ASP A 66 19.353 -11.307 7.857 1.00 1.00 N ATOM 1039 CA ASP A 66 20.353 -10.849 6.908 1.00 1.00 C ATOM 1040 C ASP A 66 21.396 -10.003 7.641 1.00 1.00 C ATOM 1041 O ASP A 66 22.017 -9.144 6.998 1.00 1.00 O ATOM 1042 CB ASP A 66 19.721 -9.980 5.819 1.00 1.00 C ATOM 1043 CG ASP A 66 19.330 -8.569 6.262 1.00 1.00 C ATOM 1044 OD1 ASP A 66 20.279 -7.697 6.206 1.00 1.00 O ATOM 1045 OD2 ASP A 66 18.177 -8.316 6.643 1.00 1.00 O ATOM 0 H ASP A 66 19.184 -12.313 7.834 1.00 1.00 H new ATOM 0 HA ASP A 66 20.810 -11.726 6.450 1.00 1.00 H new ATOM 0 HB2 ASP A 66 20.420 -9.902 4.986 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.832 -10.486 5.443 1.00 1.00 H new