USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=16 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 Set 1.1: A 14 CYS SG : rot -120:sc= -17.4! USER MOD Set 1.2: A 39 CYS SG : rot -73:sc= -19.2! USER MOD Set 1.3: A 60 CYS SG : rot -77:sc= -14.9! USER MOD Set 1.4: A 64 CYS SG : rot -50:sc= -18.9! USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 0.592 (180deg=-0.0204!) USER MOD Single : A 23 CYS SG : rot -11:sc= 0.143 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 157:sc= -0.75 USER MOD Single : A 32 TYR OH : rot -54:sc= 1.2 USER MOD Single : A 33 ASN : amide:sc= -2.39! C(o=-2.4!,f=-11!) USER MOD Single : A 34 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.2!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 160:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.09 X(o=-0.09,f=0) 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= -3.16! C(o=-3.2!,f=-4.9!) USER MOD Single : A 51 MET CE :methyl -151:sc= -0.136 (180deg=-0.655) USER MOD Single : A 52 ASN : amide:sc= -3.1! C(o=-3.1!,f=-12!) USER MOD Single : A 53 ASN :FLIP amide:sc= -8.92! C(o=-11!,f=-8.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= -5.46! (180deg=-5.69!) USER MOD Single : A 62 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 8.651 -0.990 -14.805 1.00 1.00 N ATOM 146 CA LYS A 10 8.173 0.049 -15.700 1.00 1.00 C ATOM 147 C LYS A 10 6.647 -0.016 -15.781 1.00 1.00 C ATOM 148 O LYS A 10 6.101 -1.128 -15.729 1.00 1.00 O ATOM 149 CB LYS A 10 8.866 -0.055 -17.060 1.00 1.00 C ATOM 150 CG LYS A 10 9.564 1.257 -17.422 1.00 1.00 C ATOM 151 CD LYS A 10 8.918 1.902 -18.650 1.00 1.00 C ATOM 152 CE LYS A 10 9.084 3.422 -18.622 1.00 1.00 C ATOM 153 NZ LYS A 10 10.448 3.784 -18.205 1.00 1.00 N ATOM 0 HA LYS A 10 8.430 1.034 -15.312 1.00 1.00 H new ATOM 0 HB2 LYS A 10 9.595 -0.865 -17.040 1.00 1.00 H new ATOM 0 HB3 LYS A 10 8.133 -0.305 -17.827 1.00 1.00 H new ATOM 0 HG2 LYS A 10 9.514 1.944 -16.577 1.00 1.00 H new ATOM 0 HG3 LYS A 10 10.620 1.069 -17.619 1.00 1.00 H new ATOM 0 HD2 LYS A 10 9.370 1.500 -19.557 1.00 1.00 H new ATOM 0 HD3 LYS A 10 7.858 1.649 -18.683 1.00 1.00 H new ATOM 0 HE2 LYS A 10 8.878 3.834 -19.610 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.359 3.860 -17.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 10.603 4.799 -18.368 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 10.569 3.574 -17.194 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 11.137 3.235 -18.758 1.00 1.00 H new ATOM 167 N PRO A 11 5.999 1.156 -15.906 1.00 1.00 N ATOM 168 CA PRO A 11 4.553 1.268 -15.995 1.00 1.00 C ATOM 169 C PRO A 11 4.044 0.730 -17.333 1.00 1.00 C ATOM 170 O PRO A 11 4.175 1.437 -18.343 1.00 1.00 O ATOM 171 CB PRO A 11 4.261 2.747 -15.800 1.00 1.00 C ATOM 172 CG PRO A 11 5.570 3.470 -16.072 1.00 1.00 C ATOM 173 CD PRO A 11 6.683 2.435 -16.076 1.00 1.00 C ATOM 0 HA PRO A 11 4.037 0.671 -15.243 1.00 1.00 H new ATOM 0 HB2 PRO A 11 3.480 3.084 -16.481 1.00 1.00 H new ATOM 0 HB3 PRO A 11 3.908 2.945 -14.788 1.00 1.00 H new ATOM 0 HG2 PRO A 11 5.528 3.988 -17.030 1.00 1.00 H new ATOM 0 HG3 PRO A 11 5.754 4.226 -15.308 1.00 1.00 H new ATOM 0 HD2 PRO A 11 7.246 2.462 -17.009 1.00 1.00 H new ATOM 0 HD3 PRO A 11 7.394 2.614 -15.269 1.00 1.00 H new ATOM 181 N ASP A 12 3.481 -0.492 -17.316 1.00 1.00 N ATOM 182 CA ASP A 12 2.958 -1.116 -18.519 1.00 1.00 C ATOM 183 C ASP A 12 1.839 -0.246 -19.094 1.00 1.00 C ATOM 184 O ASP A 12 1.683 -0.222 -20.324 1.00 1.00 O ATOM 185 CB ASP A 12 2.374 -2.497 -18.213 1.00 1.00 C ATOM 186 CG ASP A 12 2.240 -3.424 -19.423 1.00 1.00 C ATOM 187 OD1 ASP A 12 3.173 -3.562 -20.228 1.00 1.00 O ATOM 188 OD2 ASP A 12 1.105 -4.029 -19.524 1.00 1.00 O ATOM 0 H ASP A 12 3.382 -1.059 -16.474 1.00 1.00 H new ATOM 0 HA ASP A 12 3.778 -1.220 -19.229 1.00 1.00 H new ATOM 0 HB2 ASP A 12 3.004 -2.984 -17.469 1.00 1.00 H new ATOM 0 HB3 ASP A 12 1.390 -2.367 -17.763 1.00 1.00 H new ATOM 193 N PHE A 13 1.093 0.440 -18.209 1.00 1.00 N ATOM 194 CA PHE A 13 0.001 1.301 -18.627 1.00 1.00 C ATOM 195 C PHE A 13 0.511 2.295 -19.672 1.00 1.00 C ATOM 196 O PHE A 13 -0.282 2.710 -20.529 1.00 1.00 O ATOM 197 CB PHE A 13 -0.561 2.041 -17.397 1.00 1.00 C ATOM 198 CG PHE A 13 0.343 3.136 -16.847 1.00 1.00 C ATOM 199 CD1 PHE A 13 0.565 4.320 -17.588 1.00 1.00 C ATOM 200 CD2 PHE A 13 0.973 2.970 -15.591 1.00 1.00 C ATOM 201 CE1 PHE A 13 1.408 5.330 -17.077 1.00 1.00 C ATOM 202 CE2 PHE A 13 1.814 3.981 -15.080 1.00 1.00 C ATOM 203 CZ PHE A 13 2.032 5.161 -15.823 1.00 1.00 C ATOM 0 H PHE A 13 1.237 0.406 -17.200 1.00 1.00 H new ATOM 0 HA PHE A 13 -0.797 0.707 -19.073 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -1.522 2.481 -17.662 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -0.750 1.314 -16.607 1.00 1.00 H new ATOM 0 HD1 PHE A 13 0.088 4.452 -18.548 1.00 1.00 H new ATOM 0 HD2 PHE A 13 0.810 2.067 -15.022 1.00 1.00 H new ATOM 0 HE1 PHE A 13 1.575 6.233 -17.646 1.00 1.00 H new ATOM 0 HE2 PHE A 13 2.291 3.852 -14.120 1.00 1.00 H new ATOM 0 HZ PHE A 13 2.676 5.934 -15.432 1.00 1.00 H new ATOM 213 N CYS A 14 1.805 2.652 -19.582 1.00 1.00 N ATOM 214 CA CYS A 14 2.412 3.588 -20.513 1.00 1.00 C ATOM 215 C CYS A 14 2.400 2.983 -21.918 1.00 1.00 C ATOM 216 O CYS A 14 2.123 3.721 -22.875 1.00 1.00 O ATOM 217 CB CYS A 14 3.826 3.969 -20.068 1.00 1.00 C ATOM 218 SG CYS A 14 3.899 5.135 -18.676 1.00 1.00 S ATOM 0 H CYS A 14 2.442 2.299 -18.868 1.00 1.00 H new ATOM 0 HA CYS A 14 1.831 4.510 -20.528 1.00 1.00 H new ATOM 0 HB2 CYS A 14 4.362 3.061 -19.791 1.00 1.00 H new ATOM 0 HB3 CYS A 14 4.354 4.405 -20.916 1.00 1.00 H new ATOM 0 HG CYS A 14 4.521 6.215 -19.046 1.00 1.00 H new ATOM 224 N PHE A 15 2.695 1.674 -22.013 1.00 1.00 N ATOM 225 CA PHE A 15 2.717 0.981 -23.290 1.00 1.00 C ATOM 226 C PHE A 15 1.282 0.677 -23.725 1.00 1.00 C ATOM 227 O PHE A 15 1.102 0.134 -24.824 1.00 1.00 O ATOM 228 CB PHE A 15 3.532 -0.319 -23.147 1.00 1.00 C ATOM 229 CG PHE A 15 4.812 -0.180 -22.334 1.00 1.00 C ATOM 230 CD1 PHE A 15 5.744 0.840 -22.637 1.00 1.00 C ATOM 231 CD2 PHE A 15 5.078 -1.076 -21.273 1.00 1.00 C ATOM 232 CE1 PHE A 15 6.931 0.963 -21.884 1.00 1.00 C ATOM 233 CE2 PHE A 15 6.266 -0.952 -20.520 1.00 1.00 C ATOM 234 CZ PHE A 15 7.192 0.067 -20.825 1.00 1.00 C ATOM 0 H PHE A 15 2.920 1.084 -21.212 1.00 1.00 H new ATOM 0 HA PHE A 15 3.186 1.606 -24.050 1.00 1.00 H new ATOM 0 HB2 PHE A 15 2.902 -1.077 -22.682 1.00 1.00 H new ATOM 0 HB3 PHE A 15 3.787 -0.683 -24.142 1.00 1.00 H new ATOM 0 HD1 PHE A 15 5.547 1.527 -23.447 1.00 1.00 H new ATOM 0 HD2 PHE A 15 4.371 -1.857 -21.038 1.00 1.00 H new ATOM 0 HE1 PHE A 15 7.640 1.743 -22.118 1.00 1.00 H new ATOM 0 HE2 PHE A 15 6.466 -1.638 -19.710 1.00 1.00 H new ATOM 0 HZ PHE A 15 8.100 0.162 -20.249 1.00 1.00 H new ATOM 244 N LEU A 16 0.306 1.026 -22.868 1.00 1.00 N ATOM 245 CA LEU A 16 -1.098 0.792 -23.162 1.00 1.00 C ATOM 246 C LEU A 16 -1.591 1.851 -24.150 1.00 1.00 C ATOM 247 O LEU A 16 -1.215 3.023 -23.995 1.00 1.00 O ATOM 248 CB LEU A 16 -1.913 0.730 -21.869 1.00 1.00 C ATOM 249 CG LEU A 16 -2.783 -0.515 -21.683 1.00 1.00 C ATOM 250 CD1 LEU A 16 -2.294 -1.353 -20.500 1.00 1.00 C ATOM 251 CD2 LEU A 16 -4.259 -0.137 -21.547 1.00 1.00 C ATOM 0 H LEU A 16 0.476 1.472 -21.966 1.00 1.00 H new ATOM 0 HA LEU A 16 -1.230 -0.178 -23.641 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -1.225 0.798 -21.026 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.557 1.608 -21.826 1.00 1.00 H new ATOM 0 HG LEU A 16 -2.690 -1.133 -22.576 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -2.929 -2.232 -20.389 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.266 -1.668 -20.678 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -2.338 -0.757 -19.589 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -4.855 -1.040 -21.416 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -4.390 0.513 -20.682 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -4.585 0.386 -22.446 1.00 1.00 H new ATOM 263 N GLU A 17 -2.409 1.427 -25.129 1.00 1.00 N ATOM 264 CA GLU A 17 -2.947 2.332 -26.130 1.00 1.00 C ATOM 265 C GLU A 17 -3.560 3.549 -25.434 1.00 1.00 C ATOM 266 O GLU A 17 -3.527 3.599 -24.196 1.00 1.00 O ATOM 267 CB GLU A 17 -3.975 1.636 -27.024 1.00 1.00 C ATOM 268 CG GLU A 17 -4.812 0.637 -26.222 1.00 1.00 C ATOM 269 CD GLU A 17 -4.310 -0.793 -26.432 1.00 1.00 C ATOM 270 OE1 GLU A 17 -4.375 -1.314 -27.555 1.00 1.00 O ATOM 271 OE2 GLU A 17 -3.839 -1.365 -25.377 1.00 1.00 O ATOM 0 H GLU A 17 -2.706 0.457 -25.239 1.00 1.00 H new ATOM 0 HA GLU A 17 -2.134 2.659 -26.778 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.628 2.380 -27.480 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.465 1.119 -27.837 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.769 0.889 -25.162 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.857 0.707 -26.524 1.00 1.00 H new ATOM 278 N GLU A 18 -4.099 4.490 -26.230 1.00 1.00 N ATOM 279 CA GLU A 18 -4.712 5.693 -25.694 1.00 1.00 C ATOM 280 C GLU A 18 -6.210 5.452 -25.498 1.00 1.00 C ATOM 281 O GLU A 18 -6.798 4.710 -26.300 1.00 1.00 O ATOM 282 CB GLU A 18 -4.465 6.901 -26.599 1.00 1.00 C ATOM 283 CG GLU A 18 -5.560 7.025 -27.660 1.00 1.00 C ATOM 284 CD GLU A 18 -4.991 7.559 -28.976 1.00 1.00 C ATOM 285 OE1 GLU A 18 -4.174 6.883 -29.618 1.00 1.00 O ATOM 286 OE2 GLU A 18 -5.428 8.721 -29.328 1.00 1.00 O ATOM 0 H GLU A 18 -4.116 4.429 -27.248 1.00 1.00 H new ATOM 0 HA GLU A 18 -4.254 5.920 -24.731 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -4.432 7.810 -25.998 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.494 6.804 -27.084 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -6.021 6.052 -27.827 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -6.344 7.692 -27.302 1.00 1.00 H new ATOM 293 N ASP A 19 -6.789 6.073 -24.455 1.00 1.00 N ATOM 294 CA ASP A 19 -8.204 5.926 -24.160 1.00 1.00 C ATOM 295 C ASP A 19 -8.803 7.302 -23.861 1.00 1.00 C ATOM 296 O ASP A 19 -8.564 7.823 -22.761 1.00 1.00 O ATOM 297 CB ASP A 19 -8.422 5.039 -22.933 1.00 1.00 C ATOM 298 CG ASP A 19 -9.782 4.340 -22.874 1.00 1.00 C ATOM 299 OD1 ASP A 19 -10.398 4.053 -23.911 1.00 1.00 O ATOM 300 OD2 ASP A 19 -10.213 4.085 -21.685 1.00 1.00 O ATOM 0 H ASP A 19 -6.287 6.681 -23.807 1.00 1.00 H new ATOM 0 HA ASP A 19 -8.683 5.468 -25.025 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -7.639 4.281 -22.908 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -8.304 5.649 -22.037 1.00 1.00 H new ATOM 305 N PRO A 20 -9.557 7.854 -24.828 1.00 1.00 N ATOM 306 CA PRO A 20 -10.197 9.153 -24.704 1.00 1.00 C ATOM 307 C PRO A 20 -11.493 9.050 -23.897 1.00 1.00 C ATOM 308 O PRO A 20 -12.212 10.056 -23.805 1.00 1.00 O ATOM 309 CB PRO A 20 -10.422 9.619 -26.133 1.00 1.00 C ATOM 310 CG PRO A 20 -10.326 8.373 -26.998 1.00 1.00 C ATOM 311 CD PRO A 20 -9.711 7.267 -26.156 1.00 1.00 C ATOM 0 HA PRO A 20 -9.588 9.872 -24.157 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -11.397 10.094 -26.240 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -9.674 10.356 -26.426 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -11.313 8.078 -27.353 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -9.715 8.566 -27.879 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -10.354 6.387 -26.128 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -8.751 6.948 -26.562 1.00 1.00 H new ATOM 319 N GLY A 21 -11.762 7.856 -23.339 1.00 1.00 N ATOM 320 CA GLY A 21 -12.960 7.628 -22.549 1.00 1.00 C ATOM 321 C GLY A 21 -14.175 7.572 -23.477 1.00 1.00 C ATOM 322 O GLY A 21 -13.992 7.291 -24.671 1.00 1.00 O ATOM 0 H GLY A 21 -11.157 7.040 -23.428 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -12.870 6.695 -21.992 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -13.084 8.426 -21.817 1.00 1.00 H new ATOM 326 N ILE A 22 -15.370 7.836 -22.921 1.00 1.00 N ATOM 327 CA ILE A 22 -16.601 7.816 -23.694 1.00 1.00 C ATOM 328 C ILE A 22 -17.075 9.252 -23.927 1.00 1.00 C ATOM 329 O ILE A 22 -17.624 9.525 -25.005 1.00 1.00 O ATOM 330 CB ILE A 22 -17.644 6.926 -23.017 1.00 1.00 C ATOM 331 CG1 ILE A 22 -16.986 5.711 -22.361 1.00 1.00 C ATOM 332 CG2 ILE A 22 -18.742 6.520 -24.003 1.00 1.00 C ATOM 333 CD1 ILE A 22 -17.989 4.568 -22.191 1.00 1.00 C ATOM 0 H ILE A 22 -15.498 8.065 -21.935 1.00 1.00 H new ATOM 0 HA ILE A 22 -16.428 7.374 -24.675 1.00 1.00 H new ATOM 0 HB ILE A 22 -18.120 7.502 -22.223 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -16.146 5.375 -22.970 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -16.582 5.993 -21.389 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -19.471 5.888 -23.496 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -19.238 7.413 -24.383 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -18.300 5.970 -24.834 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -17.495 3.717 -21.722 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -18.815 4.899 -21.562 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -18.373 4.272 -23.167 1.00 1.00 H new ATOM 345 N CYS A 23 -16.859 10.127 -22.928 1.00 1.00 N ATOM 346 CA CYS A 23 -17.261 11.520 -23.024 1.00 1.00 C ATOM 347 C CYS A 23 -16.570 12.165 -24.227 1.00 1.00 C ATOM 348 O CYS A 23 -16.214 11.434 -25.164 1.00 1.00 O ATOM 349 CB CYS A 23 -16.964 12.271 -21.725 1.00 1.00 C ATOM 350 SG CYS A 23 -17.019 11.249 -20.224 1.00 1.00 S ATOM 0 H CYS A 23 -16.406 9.882 -22.048 1.00 1.00 H new ATOM 0 HA CYS A 23 -18.339 11.574 -23.175 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -15.976 12.725 -21.802 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -17.682 13.085 -21.620 1.00 1.00 H new ATOM 0 HG CYS A 23 -17.536 10.090 -20.507 1.00 1.00 H new ATOM 356 N ARG A 24 -16.396 13.497 -24.179 1.00 1.00 N ATOM 357 CA ARG A 24 -15.753 14.229 -25.257 1.00 1.00 C ATOM 358 C ARG A 24 -15.262 15.579 -24.729 1.00 1.00 C ATOM 359 O ARG A 24 -15.399 15.825 -23.522 1.00 1.00 O ATOM 360 CB ARG A 24 -16.710 14.466 -26.427 1.00 1.00 C ATOM 361 CG ARG A 24 -18.076 14.945 -25.931 1.00 1.00 C ATOM 362 CD ARG A 24 -19.205 14.116 -26.547 1.00 1.00 C ATOM 363 NE ARG A 24 -20.514 14.594 -26.049 1.00 1.00 N ATOM 364 CZ ARG A 24 -21.677 13.931 -26.221 1.00 1.00 C ATOM 365 NH1 ARG A 24 -21.669 12.764 -26.879 1.00 1.00 N ATOM 366 NH2 ARG A 24 -22.823 14.432 -25.739 1.00 1.00 N ATOM 0 H ARG A 24 -16.697 14.080 -23.398 1.00 1.00 H new ATOM 0 HA ARG A 24 -14.916 13.632 -25.618 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -16.285 15.207 -27.104 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -16.829 13.544 -26.996 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -18.118 14.872 -24.844 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -18.211 15.996 -26.186 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -19.171 14.191 -27.634 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -19.073 13.064 -26.296 1.00 1.00 H new ATOM 0 HE ARG A 24 -20.539 15.480 -25.544 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -20.792 12.389 -27.242 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -22.539 12.251 -27.017 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -22.820 15.320 -25.238 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -23.698 13.925 -25.873 1.00 1.00 H new ATOM 380 N GLY A 25 -14.707 16.412 -25.628 1.00 1.00 N ATOM 381 CA GLY A 25 -14.201 17.721 -25.255 1.00 1.00 C ATOM 382 C GLY A 25 -12.743 17.846 -25.700 1.00 1.00 C ATOM 383 O GLY A 25 -12.329 18.958 -26.060 1.00 1.00 O ATOM 0 H GLY A 25 -14.603 16.190 -26.618 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.803 18.502 -25.719 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.277 17.859 -24.176 1.00 1.00 H new ATOM 387 N TYR A 26 -12.005 16.722 -25.669 1.00 1.00 N ATOM 388 CA TYR A 26 -10.611 16.774 -26.075 1.00 1.00 C ATOM 389 C TYR A 26 -9.847 17.713 -25.140 1.00 1.00 C ATOM 390 O TYR A 26 -10.188 18.904 -25.103 1.00 1.00 O ATOM 391 CB TYR A 26 -10.513 17.224 -27.545 1.00 1.00 C ATOM 392 CG TYR A 26 -11.097 16.238 -28.547 1.00 1.00 C ATOM 393 CD1 TYR A 26 -11.641 15.012 -28.098 1.00 1.00 C ATOM 394 CD2 TYR A 26 -11.105 16.541 -29.928 1.00 1.00 C ATOM 395 CE1 TYR A 26 -12.186 14.096 -29.023 1.00 1.00 C ATOM 396 CE2 TYR A 26 -11.651 15.626 -30.853 1.00 1.00 C ATOM 397 CZ TYR A 26 -12.191 14.401 -30.401 1.00 1.00 C ATOM 398 OH TYR A 26 -12.718 13.512 -31.293 1.00 1.00 O ATOM 0 H TYR A 26 -12.344 15.805 -25.377 1.00 1.00 H new ATOM 0 HA TYR A 26 -10.160 15.784 -26.003 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -11.025 18.180 -27.654 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -9.465 17.394 -27.791 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -11.639 14.776 -27.044 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -10.692 17.476 -30.276 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -12.600 13.161 -28.676 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -11.656 15.862 -31.907 1.00 1.00 H new ATOM 0 HH TYR A 26 -12.644 13.876 -32.200 1.00 1.00 H new ATOM 408 N ILE A 27 -8.855 17.172 -24.410 1.00 1.00 N ATOM 409 CA ILE A 27 -8.066 17.961 -23.479 1.00 1.00 C ATOM 410 C ILE A 27 -6.608 17.982 -23.943 1.00 1.00 C ATOM 411 O ILE A 27 -5.731 18.280 -23.119 1.00 1.00 O ATOM 412 CB ILE A 27 -8.249 17.445 -22.050 1.00 1.00 C ATOM 413 CG1 ILE A 27 -9.714 17.097 -21.776 1.00 1.00 C ATOM 414 CG2 ILE A 27 -7.697 18.444 -21.031 1.00 1.00 C ATOM 415 CD1 ILE A 27 -9.925 15.582 -21.767 1.00 1.00 C ATOM 0 H ILE A 27 -8.589 16.188 -24.455 1.00 1.00 H new ATOM 0 HA ILE A 27 -8.412 18.994 -23.467 1.00 1.00 H new ATOM 0 HB ILE A 27 -7.674 16.525 -21.943 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -10.018 17.516 -20.817 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -10.348 17.552 -22.537 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -7.840 18.053 -20.024 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -6.633 18.599 -21.213 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -8.224 19.393 -21.130 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -10.974 15.362 -21.570 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -9.643 15.170 -22.736 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -9.308 15.133 -20.989 1.00 1.00 H new ATOM 427 N THR A 28 -6.382 17.669 -25.231 1.00 1.00 N ATOM 428 CA THR A 28 -5.043 17.653 -25.795 1.00 1.00 C ATOM 429 C THR A 28 -4.073 17.048 -24.779 1.00 1.00 C ATOM 430 O THR A 28 -3.127 17.743 -24.380 1.00 1.00 O ATOM 431 CB THR A 28 -4.672 19.076 -26.216 1.00 1.00 C ATOM 432 OG1 THR A 28 -5.467 19.314 -27.375 1.00 1.00 O ATOM 433 CG2 THR A 28 -3.233 19.181 -26.723 1.00 1.00 C ATOM 0 H THR A 28 -7.119 17.425 -25.893 1.00 1.00 H new ATOM 0 HA THR A 28 -4.992 17.027 -26.686 1.00 1.00 H new ATOM 0 HB THR A 28 -4.809 19.751 -25.371 1.00 1.00 H new ATOM 0 HG1 THR A 28 -5.290 20.217 -27.713 1.00 1.00 H new ATOM 0 HG21 THR A 28 -3.022 20.212 -27.008 1.00 1.00 H new ATOM 0 HG22 THR A 28 -2.546 18.875 -25.934 1.00 1.00 H new ATOM 0 HG23 THR A 28 -3.104 18.531 -27.589 1.00 1.00 H new ATOM 441 N ARG A 29 -4.322 15.785 -24.386 1.00 1.00 N ATOM 442 CA ARG A 29 -3.477 15.097 -23.426 1.00 1.00 C ATOM 443 C ARG A 29 -2.393 14.317 -24.173 1.00 1.00 C ATOM 444 O ARG A 29 -2.408 14.329 -25.413 1.00 1.00 O ATOM 445 CB ARG A 29 -4.283 14.130 -22.556 1.00 1.00 C ATOM 446 CG ARG A 29 -5.094 14.886 -21.502 1.00 1.00 C ATOM 447 CD ARG A 29 -4.596 14.561 -20.091 1.00 1.00 C ATOM 448 NE ARG A 29 -5.707 14.689 -19.121 1.00 1.00 N ATOM 449 CZ ARG A 29 -6.245 15.866 -18.737 1.00 1.00 C ATOM 450 NH1 ARG A 29 -5.758 17.002 -19.255 1.00 1.00 N ATOM 451 NH2 ARG A 29 -7.250 15.897 -17.852 1.00 1.00 N ATOM 0 H ARG A 29 -5.107 15.230 -24.727 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.028 15.847 -22.774 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -4.953 13.543 -23.184 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -3.609 13.428 -22.066 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -5.019 15.959 -21.680 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -6.148 14.621 -21.590 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -4.192 13.549 -20.063 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -3.784 15.236 -19.818 1.00 1.00 H new ATOM 0 HE ARG A 29 -6.090 13.834 -18.717 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -4.993 16.968 -19.928 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -6.153 17.900 -18.976 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -7.614 15.027 -17.463 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -7.651 16.790 -17.567 1.00 1.00 H new ATOM 465 N TYR A 30 -1.490 13.666 -23.418 1.00 1.00 N ATOM 466 CA TYR A 30 -0.433 12.911 -24.068 1.00 1.00 C ATOM 467 C TYR A 30 -0.451 11.470 -23.554 1.00 1.00 C ATOM 468 O TYR A 30 -0.966 11.253 -22.447 1.00 1.00 O ATOM 469 CB TYR A 30 0.925 13.592 -23.816 1.00 1.00 C ATOM 470 CG TYR A 30 1.012 15.029 -24.310 1.00 1.00 C ATOM 471 CD1 TYR A 30 0.213 16.037 -23.724 1.00 1.00 C ATOM 472 CD2 TYR A 30 1.892 15.362 -25.366 1.00 1.00 C ATOM 473 CE1 TYR A 30 0.294 17.367 -24.187 1.00 1.00 C ATOM 474 CE2 TYR A 30 1.974 16.692 -25.829 1.00 1.00 C ATOM 475 CZ TYR A 30 1.176 17.696 -25.241 1.00 1.00 C ATOM 476 OH TYR A 30 1.259 18.983 -25.692 1.00 1.00 O ATOM 0 H TYR A 30 -1.477 13.652 -22.398 1.00 1.00 H new ATOM 0 HA TYR A 30 -0.595 12.888 -25.146 1.00 1.00 H new ATOM 0 HB2 TYR A 30 1.132 13.576 -22.746 1.00 1.00 H new ATOM 0 HB3 TYR A 30 1.706 13.007 -24.301 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -0.462 15.788 -22.919 1.00 1.00 H new ATOM 0 HD2 TYR A 30 2.503 14.596 -25.819 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -0.318 18.134 -23.736 1.00 1.00 H new ATOM 0 HE2 TYR A 30 2.648 16.942 -26.635 1.00 1.00 H new ATOM 0 HH TYR A 30 2.125 19.121 -26.130 1.00 1.00 H new ATOM 486 N PHE A 31 0.088 10.531 -24.351 1.00 1.00 N ATOM 487 CA PHE A 31 0.119 9.127 -23.976 1.00 1.00 C ATOM 488 C PHE A 31 1.277 8.436 -24.698 1.00 1.00 C ATOM 489 O PHE A 31 1.460 8.690 -25.898 1.00 1.00 O ATOM 490 CB PHE A 31 -1.226 8.473 -24.349 1.00 1.00 C ATOM 491 CG PHE A 31 -1.349 8.063 -25.811 1.00 1.00 C ATOM 492 CD1 PHE A 31 -1.583 9.042 -26.804 1.00 1.00 C ATOM 493 CD2 PHE A 31 -1.225 6.705 -26.185 1.00 1.00 C ATOM 494 CE1 PHE A 31 -1.693 8.665 -28.159 1.00 1.00 C ATOM 495 CE2 PHE A 31 -1.335 6.329 -27.541 1.00 1.00 C ATOM 496 CZ PHE A 31 -1.570 7.309 -28.528 1.00 1.00 C ATOM 0 H PHE A 31 0.507 10.731 -25.259 1.00 1.00 H new ATOM 0 HA PHE A 31 0.270 9.028 -22.901 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -1.372 7.591 -23.725 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -2.031 9.168 -24.111 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.678 10.081 -26.524 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -1.046 5.953 -25.431 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -1.872 9.416 -28.915 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -1.239 5.291 -27.823 1.00 1.00 H new ATOM 0 HZ PHE A 31 -1.656 7.021 -29.565 1.00 1.00 H new ATOM 506 N TYR A 32 2.024 7.591 -23.966 1.00 1.00 N ATOM 507 CA TYR A 32 3.142 6.906 -24.592 1.00 1.00 C ATOM 508 C TYR A 32 2.610 5.812 -25.521 1.00 1.00 C ATOM 509 O TYR A 32 2.120 4.798 -25.005 1.00 1.00 O ATOM 510 CB TYR A 32 4.076 6.334 -23.509 1.00 1.00 C ATOM 511 CG TYR A 32 5.466 5.963 -24.006 1.00 1.00 C ATOM 512 CD1 TYR A 32 6.468 6.952 -24.134 1.00 1.00 C ATOM 513 CD2 TYR A 32 5.760 4.623 -24.348 1.00 1.00 C ATOM 514 CE1 TYR A 32 7.754 6.604 -24.598 1.00 1.00 C ATOM 515 CE2 TYR A 32 7.047 4.274 -24.812 1.00 1.00 C ATOM 516 CZ TYR A 32 8.045 5.264 -24.937 1.00 1.00 C ATOM 517 OH TYR A 32 9.290 4.922 -25.385 1.00 1.00 O ATOM 0 H TYR A 32 1.875 7.379 -22.980 1.00 1.00 H new ATOM 0 HA TYR A 32 3.723 7.606 -25.192 1.00 1.00 H new ATOM 0 HB2 TYR A 32 4.174 7.067 -22.708 1.00 1.00 H new ATOM 0 HB3 TYR A 32 3.610 5.449 -23.076 1.00 1.00 H new ATOM 0 HD1 TYR A 32 6.248 7.977 -23.876 1.00 1.00 H new ATOM 0 HD2 TYR A 32 4.998 3.864 -24.254 1.00 1.00 H new ATOM 0 HE1 TYR A 32 8.517 7.363 -24.694 1.00 1.00 H new ATOM 0 HE2 TYR A 32 7.268 3.249 -25.071 1.00 1.00 H new ATOM 0 HH TYR A 32 9.529 5.486 -26.150 1.00 1.00 H new ATOM 527 N ASN A 33 2.704 6.037 -26.844 1.00 1.00 N ATOM 528 CA ASN A 33 2.224 5.078 -27.824 1.00 1.00 C ATOM 529 C ASN A 33 3.361 4.127 -28.201 1.00 1.00 C ATOM 530 O ASN A 33 4.365 4.599 -28.754 1.00 1.00 O ATOM 531 CB ASN A 33 1.753 5.782 -29.098 1.00 1.00 C ATOM 532 CG ASN A 33 0.907 4.844 -29.962 1.00 1.00 C ATOM 533 OD1 ASN A 33 1.065 3.634 -29.948 1.00 1.00 O ATOM 534 ND2 ASN A 33 0.003 5.468 -30.711 1.00 1.00 N ATOM 0 H ASN A 33 3.111 6.881 -27.248 1.00 1.00 H new ATOM 0 HA ASN A 33 1.389 4.534 -27.383 1.00 1.00 H new ATOM 0 HB2 ASN A 33 1.170 6.665 -28.836 1.00 1.00 H new ATOM 0 HB3 ASN A 33 2.616 6.127 -29.667 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -0.612 4.930 -31.322 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -0.076 6.484 -30.674 1.00 1.00 H new ATOM 541 N ASN A 34 3.184 2.828 -27.900 1.00 1.00 N ATOM 542 CA ASN A 34 4.189 1.823 -28.206 1.00 1.00 C ATOM 543 C ASN A 34 4.405 1.769 -29.720 1.00 1.00 C ATOM 544 O ASN A 34 5.530 1.466 -30.144 1.00 1.00 O ATOM 545 CB ASN A 34 3.739 0.436 -27.743 1.00 1.00 C ATOM 546 CG ASN A 34 4.666 -0.652 -28.290 1.00 1.00 C ATOM 547 OD1 ASN A 34 5.815 -0.415 -28.622 1.00 1.00 O ATOM 548 ND2 ASN A 34 4.102 -1.854 -28.365 1.00 1.00 N ATOM 0 H ASN A 34 2.349 2.460 -27.444 1.00 1.00 H new ATOM 0 HA ASN A 34 5.108 2.096 -27.688 1.00 1.00 H new ATOM 0 HB2 ASN A 34 3.730 0.397 -26.654 1.00 1.00 H new ATOM 0 HB3 ASN A 34 2.718 0.251 -28.077 1.00 1.00 H new ATOM 0 HD21 ASN A 34 4.637 -2.647 -28.718 1.00 1.00 H new ATOM 0 HD22 ASN A 34 3.134 -1.983 -28.070 1.00 1.00 H new ATOM 555 N GLN A 35 3.342 2.059 -30.491 1.00 1.00 N ATOM 556 CA GLN A 35 3.416 2.043 -31.942 1.00 1.00 C ATOM 557 C GLN A 35 4.589 2.913 -32.398 1.00 1.00 C ATOM 558 O GLN A 35 5.169 2.616 -33.453 1.00 1.00 O ATOM 559 CB GLN A 35 2.106 2.512 -32.577 1.00 1.00 C ATOM 560 CG GLN A 35 1.731 1.635 -33.773 1.00 1.00 C ATOM 561 CD GLN A 35 0.304 1.926 -34.241 1.00 1.00 C ATOM 562 OE1 GLN A 35 -0.573 1.078 -34.208 1.00 1.00 O ATOM 563 NE2 GLN A 35 0.120 3.169 -34.677 1.00 1.00 N ATOM 0 H GLN A 35 2.424 2.307 -30.121 1.00 1.00 H new ATOM 0 HA GLN A 35 3.579 1.017 -32.272 1.00 1.00 H new ATOM 0 HB2 GLN A 35 1.308 2.483 -31.836 1.00 1.00 H new ATOM 0 HB3 GLN A 35 2.204 3.549 -32.899 1.00 1.00 H new ATOM 0 HG2 GLN A 35 2.429 1.812 -34.591 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.820 0.584 -33.500 1.00 1.00 H new ATOM 0 HE21 GLN A 35 0.897 3.829 -34.678 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -0.798 3.462 -35.010 1.00 1.00 H new ATOM 572 N THR A 36 4.910 3.954 -31.608 1.00 1.00 N ATOM 573 CA THR A 36 6.002 4.856 -31.929 1.00 1.00 C ATOM 574 C THR A 36 6.940 4.964 -30.725 1.00 1.00 C ATOM 575 O THR A 36 7.725 5.922 -30.672 1.00 1.00 O ATOM 576 CB THR A 36 5.414 6.200 -32.364 1.00 1.00 C ATOM 577 OG1 THR A 36 4.854 6.737 -31.168 1.00 1.00 O ATOM 578 CG2 THR A 36 4.214 6.040 -33.299 1.00 1.00 C ATOM 0 H THR A 36 4.420 4.181 -30.743 1.00 1.00 H new ATOM 0 HA THR A 36 6.601 4.480 -32.758 1.00 1.00 H new ATOM 0 HB THR A 36 6.185 6.789 -32.861 1.00 1.00 H new ATOM 0 HG1 THR A 36 4.743 7.706 -31.265 1.00 1.00 H new ATOM 0 HG21 THR A 36 3.836 7.024 -33.577 1.00 1.00 H new ATOM 0 HG22 THR A 36 4.521 5.502 -34.196 1.00 1.00 H new ATOM 0 HG23 THR A 36 3.429 5.480 -32.791 1.00 1.00 H new ATOM 586 N LYS A 37 6.841 3.995 -29.797 1.00 1.00 N ATOM 587 CA LYS A 37 7.674 3.982 -28.606 1.00 1.00 C ATOM 588 C LYS A 37 7.993 5.421 -28.197 1.00 1.00 C ATOM 589 O LYS A 37 9.161 5.701 -27.889 1.00 1.00 O ATOM 590 CB LYS A 37 8.916 3.117 -28.832 1.00 1.00 C ATOM 591 CG LYS A 37 8.536 1.644 -28.995 1.00 1.00 C ATOM 592 CD LYS A 37 8.899 1.136 -30.392 1.00 1.00 C ATOM 593 CE LYS A 37 10.417 1.073 -30.575 1.00 1.00 C ATOM 594 NZ LYS A 37 10.777 1.327 -31.979 1.00 1.00 N ATOM 0 H LYS A 37 6.188 3.214 -29.860 1.00 1.00 H new ATOM 0 HA LYS A 37 7.141 3.524 -27.772 1.00 1.00 H new ATOM 0 HB2 LYS A 37 9.446 3.460 -29.721 1.00 1.00 H new ATOM 0 HB3 LYS A 37 9.600 3.229 -27.990 1.00 1.00 H new ATOM 0 HG2 LYS A 37 9.050 1.047 -28.242 1.00 1.00 H new ATOM 0 HG3 LYS A 37 7.467 1.520 -28.825 1.00 1.00 H new ATOM 0 HD2 LYS A 37 8.469 0.146 -30.546 1.00 1.00 H new ATOM 0 HD3 LYS A 37 8.465 1.793 -31.146 1.00 1.00 H new ATOM 0 HE2 LYS A 37 10.898 1.809 -29.931 1.00 1.00 H new ATOM 0 HE3 LYS A 37 10.786 0.094 -30.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 11.810 1.281 -32.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 10.333 0.609 -32.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 10.442 2.271 -32.258 1.00 1.00 H new ATOM 608 N GLN A 38 6.967 6.290 -28.200 1.00 1.00 N ATOM 609 CA GLN A 38 7.137 7.685 -27.831 1.00 1.00 C ATOM 610 C GLN A 38 5.779 8.278 -27.452 1.00 1.00 C ATOM 611 O GLN A 38 4.754 7.717 -27.867 1.00 1.00 O ATOM 612 CB GLN A 38 7.791 8.488 -28.958 1.00 1.00 C ATOM 613 CG GLN A 38 7.217 9.905 -29.026 1.00 1.00 C ATOM 614 CD GLN A 38 7.837 10.693 -30.181 1.00 1.00 C ATOM 615 OE1 GLN A 38 7.157 11.186 -31.066 1.00 1.00 O ATOM 616 NE2 GLN A 38 9.163 10.783 -30.124 1.00 1.00 N ATOM 0 H GLN A 38 6.012 6.038 -28.457 1.00 1.00 H new ATOM 0 HA GLN A 38 7.805 7.740 -26.972 1.00 1.00 H new ATOM 0 HB2 GLN A 38 8.868 8.535 -28.798 1.00 1.00 H new ATOM 0 HB3 GLN A 38 7.632 7.981 -29.910 1.00 1.00 H new ATOM 0 HG2 GLN A 38 6.135 9.857 -29.153 1.00 1.00 H new ATOM 0 HG3 GLN A 38 7.405 10.423 -28.085 1.00 1.00 H new ATOM 0 HE21 GLN A 38 9.671 10.347 -29.355 1.00 1.00 H new ATOM 0 HE22 GLN A 38 9.672 11.288 -30.850 1.00 1.00 H new ATOM 625 N CYS A 39 5.797 9.382 -26.684 1.00 1.00 N ATOM 626 CA CYS A 39 4.575 10.041 -26.255 1.00 1.00 C ATOM 627 C CYS A 39 3.885 10.667 -27.469 1.00 1.00 C ATOM 628 O CYS A 39 4.558 11.380 -28.228 1.00 1.00 O ATOM 629 CB CYS A 39 4.860 11.076 -25.165 1.00 1.00 C ATOM 630 SG CYS A 39 5.388 10.379 -23.572 1.00 1.00 S ATOM 0 H CYS A 39 6.652 9.829 -26.353 1.00 1.00 H new ATOM 0 HA CYS A 39 3.903 9.304 -25.816 1.00 1.00 H new ATOM 0 HB2 CYS A 39 5.633 11.756 -25.522 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.961 11.672 -25.005 1.00 1.00 H new ATOM 0 HG CYS A 39 4.368 9.834 -22.977 1.00 1.00 H new ATOM 636 N GLU A 40 2.578 10.393 -27.627 1.00 1.00 N ATOM 637 CA GLU A 40 1.808 10.925 -28.738 1.00 1.00 C ATOM 638 C GLU A 40 0.689 11.818 -28.197 1.00 1.00 C ATOM 639 O GLU A 40 0.013 11.403 -27.244 1.00 1.00 O ATOM 640 CB GLU A 40 1.241 9.807 -29.615 1.00 1.00 C ATOM 641 CG GLU A 40 2.346 8.849 -30.064 1.00 1.00 C ATOM 642 CD GLU A 40 2.009 8.218 -31.417 1.00 1.00 C ATOM 643 OE1 GLU A 40 1.949 9.045 -32.404 1.00 1.00 O ATOM 644 OE2 GLU A 40 1.815 6.996 -31.500 1.00 1.00 O ATOM 0 H GLU A 40 2.042 9.803 -26.991 1.00 1.00 H new ATOM 0 HA GLU A 40 2.469 11.519 -29.369 1.00 1.00 H new ATOM 0 HB2 GLU A 40 0.480 9.256 -29.062 1.00 1.00 H new ATOM 0 HB3 GLU A 40 0.751 10.238 -30.488 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.292 9.387 -30.135 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.479 8.067 -29.317 1.00 1.00 H new ATOM 651 N ARG A 41 0.519 13.005 -28.804 1.00 1.00 N ATOM 652 CA ARG A 41 -0.508 13.944 -28.386 1.00 1.00 C ATOM 653 C ARG A 41 -1.879 13.418 -28.814 1.00 1.00 C ATOM 654 O ARG A 41 -2.100 13.265 -30.024 1.00 1.00 O ATOM 655 CB ARG A 41 -0.287 15.330 -28.997 1.00 1.00 C ATOM 656 CG ARG A 41 -0.192 16.400 -27.908 1.00 1.00 C ATOM 657 CD ARG A 41 0.565 17.630 -28.413 1.00 1.00 C ATOM 658 NE ARG A 41 -0.389 18.714 -28.738 1.00 1.00 N ATOM 659 CZ ARG A 41 -1.082 18.791 -29.894 1.00 1.00 C ATOM 660 NH1 ARG A 41 -0.909 17.837 -30.820 1.00 1.00 N ATOM 661 NH2 ARG A 41 -1.929 19.806 -30.114 1.00 1.00 N ATOM 0 H ARG A 41 1.087 13.327 -29.587 1.00 1.00 H new ATOM 0 HA ARG A 41 -0.457 14.039 -27.301 1.00 1.00 H new ATOM 0 HB2 ARG A 41 0.627 15.328 -29.591 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -1.107 15.568 -29.675 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -1.193 16.690 -27.590 1.00 1.00 H new ATOM 0 HG3 ARG A 41 0.314 15.990 -27.034 1.00 1.00 H new ATOM 0 HD2 ARG A 41 1.270 17.970 -27.654 1.00 1.00 H new ATOM 0 HD3 ARG A 41 1.148 17.371 -29.297 1.00 1.00 H new ATOM 0 HE ARG A 41 -0.532 19.449 -28.045 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -0.262 17.068 -30.646 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -1.425 17.880 -31.699 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -2.054 20.529 -29.405 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -2.448 19.856 -30.990 1.00 1.00 H new ATOM 675 N PHE A 42 -2.758 13.156 -27.830 1.00 1.00 N ATOM 676 CA PHE A 42 -4.093 12.653 -28.104 1.00 1.00 C ATOM 677 C PHE A 42 -5.102 13.387 -27.218 1.00 1.00 C ATOM 678 O PHE A 42 -4.721 13.810 -26.117 1.00 1.00 O ATOM 679 CB PHE A 42 -4.129 11.136 -27.832 1.00 1.00 C ATOM 680 CG PHE A 42 -4.451 10.756 -26.393 1.00 1.00 C ATOM 681 CD1 PHE A 42 -3.539 11.064 -25.358 1.00 1.00 C ATOM 682 CD2 PHE A 42 -5.665 10.100 -26.082 1.00 1.00 C ATOM 683 CE1 PHE A 42 -3.836 10.717 -24.023 1.00 1.00 C ATOM 684 CE2 PHE A 42 -5.962 9.754 -24.746 1.00 1.00 C ATOM 685 CZ PHE A 42 -5.048 10.061 -23.717 1.00 1.00 C ATOM 0 H PHE A 42 -2.556 13.289 -26.839 1.00 1.00 H new ATOM 0 HA PHE A 42 -4.354 12.828 -29.148 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -4.870 10.680 -28.489 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -3.162 10.710 -28.099 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -2.612 11.567 -25.590 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -6.366 9.863 -26.868 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -3.136 10.953 -23.235 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -6.890 9.254 -24.512 1.00 1.00 H new ATOM 0 HZ PHE A 42 -5.275 9.794 -22.695 1.00 1.00 H new ATOM 695 N LYS A 43 -6.347 13.521 -27.708 1.00 1.00 N ATOM 696 CA LYS A 43 -7.398 14.197 -26.966 1.00 1.00 C ATOM 697 C LYS A 43 -8.064 13.204 -26.013 1.00 1.00 C ATOM 698 O LYS A 43 -8.504 12.143 -26.479 1.00 1.00 O ATOM 699 CB LYS A 43 -8.375 14.880 -27.925 1.00 1.00 C ATOM 700 CG LYS A 43 -8.491 14.101 -29.237 1.00 1.00 C ATOM 701 CD LYS A 43 -7.439 14.567 -30.246 1.00 1.00 C ATOM 702 CE LYS A 43 -8.100 15.086 -31.525 1.00 1.00 C ATOM 703 NZ LYS A 43 -7.081 15.400 -32.540 1.00 1.00 N ATOM 0 H LYS A 43 -6.639 13.165 -28.618 1.00 1.00 H new ATOM 0 HA LYS A 43 -6.979 14.995 -26.352 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -9.356 14.958 -27.456 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -8.038 15.896 -28.130 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -8.368 13.035 -29.044 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -9.488 14.235 -29.657 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -6.828 15.353 -29.803 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.770 13.741 -30.487 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.791 14.338 -31.914 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -8.687 15.977 -31.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -7.546 15.751 -33.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -6.438 16.130 -32.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -6.539 14.542 -32.764 1.00 1.00 H new ATOM 717 N TYR A 44 -8.124 13.560 -24.717 1.00 1.00 N ATOM 718 CA TYR A 44 -8.740 12.658 -23.759 1.00 1.00 C ATOM 719 C TYR A 44 -10.215 13.031 -23.590 1.00 1.00 C ATOM 720 O TYR A 44 -10.637 13.229 -22.441 1.00 1.00 O ATOM 721 CB TYR A 44 -7.977 12.715 -22.423 1.00 1.00 C ATOM 722 CG TYR A 44 -8.687 12.035 -21.261 1.00 1.00 C ATOM 723 CD1 TYR A 44 -9.647 11.028 -21.511 1.00 1.00 C ATOM 724 CD2 TYR A 44 -8.389 12.400 -19.928 1.00 1.00 C ATOM 725 CE1 TYR A 44 -10.306 10.393 -20.437 1.00 1.00 C ATOM 726 CE2 TYR A 44 -9.048 11.765 -18.854 1.00 1.00 C ATOM 727 CZ TYR A 44 -10.008 10.761 -19.107 1.00 1.00 C ATOM 728 OH TYR A 44 -10.648 10.144 -18.070 1.00 1.00 O ATOM 0 H TYR A 44 -7.765 14.433 -24.331 1.00 1.00 H new ATOM 0 HA TYR A 44 -8.690 11.631 -24.122 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.000 12.251 -22.557 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.801 13.759 -22.164 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.877 10.744 -22.527 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -7.655 13.167 -19.731 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.039 9.625 -20.633 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -8.818 12.047 -17.837 1.00 1.00 H new ATOM 0 HH TYR A 44 -10.327 10.513 -17.221 1.00 1.00 H new ATOM 789 N ASN A 50 -8.593 5.735 -19.623 1.00 1.00 N ATOM 790 CA ASN A 50 -7.784 4.696 -19.009 1.00 1.00 C ATOM 791 C ASN A 50 -6.577 5.337 -18.320 1.00 1.00 C ATOM 792 O ASN A 50 -6.651 6.530 -17.989 1.00 1.00 O ATOM 793 CB ASN A 50 -7.262 3.712 -20.057 1.00 1.00 C ATOM 794 CG ASN A 50 -6.076 4.303 -20.822 1.00 1.00 C ATOM 795 OD1 ASN A 50 -5.825 5.497 -20.803 1.00 1.00 O ATOM 796 ND2 ASN A 50 -5.364 3.404 -21.494 1.00 1.00 N ATOM 0 HA ASN A 50 -8.408 4.162 -18.293 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -6.960 2.784 -19.571 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -8.061 3.461 -20.755 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -4.552 3.699 -22.037 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -5.629 2.420 -21.467 1.00 1.00 H new ATOM 803 N MET A 51 -5.507 4.547 -18.122 1.00 1.00 N ATOM 804 CA MET A 51 -4.298 5.034 -17.479 1.00 1.00 C ATOM 805 C MET A 51 -3.582 6.006 -18.419 1.00 1.00 C ATOM 806 O MET A 51 -3.836 7.216 -18.320 1.00 1.00 O ATOM 807 CB MET A 51 -3.366 3.867 -17.145 1.00 1.00 C ATOM 808 CG MET A 51 -3.832 3.137 -15.884 1.00 1.00 C ATOM 809 SD MET A 51 -3.304 1.400 -15.940 1.00 1.00 S ATOM 810 CE MET A 51 -4.394 0.781 -17.256 1.00 1.00 C ATOM 0 H MET A 51 -5.466 3.567 -18.403 1.00 1.00 H new ATOM 0 HA MET A 51 -4.568 5.544 -16.554 1.00 1.00 H new ATOM 0 HB2 MET A 51 -3.335 3.170 -17.983 1.00 1.00 H new ATOM 0 HB3 MET A 51 -2.351 4.237 -17.001 1.00 1.00 H new ATOM 0 HG2 MET A 51 -3.420 3.623 -15.000 1.00 1.00 H new ATOM 0 HG3 MET A 51 -4.917 3.193 -15.802 1.00 1.00 H new ATOM 0 HE1 MET A 51 -4.597 -0.277 -17.093 1.00 1.00 H new ATOM 0 HE2 MET A 51 -5.332 1.336 -17.243 1.00 1.00 H new ATOM 0 HE3 MET A 51 -3.908 0.912 -18.223 1.00 1.00 H new ATOM 820 N ASN A 52 -2.717 5.469 -19.296 1.00 1.00 N ATOM 821 CA ASN A 52 -1.973 6.283 -20.243 1.00 1.00 C ATOM 822 C ASN A 52 -2.830 7.479 -20.663 1.00 1.00 C ATOM 823 O ASN A 52 -3.647 7.325 -21.583 1.00 1.00 O ATOM 824 CB ASN A 52 -1.625 5.486 -21.501 1.00 1.00 C ATOM 825 CG ASN A 52 -0.382 6.058 -22.186 1.00 1.00 C ATOM 826 OD1 ASN A 52 0.139 7.098 -21.816 1.00 1.00 O ATOM 827 ND2 ASN A 52 0.062 5.324 -23.201 1.00 1.00 N ATOM 0 H ASN A 52 -2.523 4.470 -19.360 1.00 1.00 H new ATOM 0 HA ASN A 52 -1.053 6.609 -19.758 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -1.452 4.442 -21.238 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -2.467 5.505 -22.193 1.00 1.00 H new ATOM 0 HD21 ASN A 52 0.887 5.621 -23.723 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -0.422 4.464 -23.458 1.00 1.00 H new ATOM 834 N ASN A 53 -2.631 8.628 -19.992 1.00 1.00 N ATOM 835 CA ASN A 53 -3.380 9.836 -20.294 1.00 1.00 C ATOM 836 C ASN A 53 -2.747 11.020 -19.560 1.00 1.00 C ATOM 837 O ASN A 53 -3.382 11.550 -18.637 1.00 1.00 O ATOM 838 CB ASN A 53 -4.832 9.714 -19.830 1.00 1.00 C ATOM 839 CG ASN A 53 -5.529 11.076 -19.845 1.00 1.00 C ATOM 840 OD1 ASN A 53 -5.327 11.774 -20.958 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 -6.206 11.467 -18.908 1.00 1.00 N flip ATOM 0 H ASN A 53 -1.953 8.733 -19.237 1.00 1.00 H new ATOM 0 HA ASN A 53 -3.358 9.986 -21.373 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.368 9.020 -20.478 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.862 9.297 -18.823 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -6.320 10.880 -18.082 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -6.657 12.381 -18.951 1.00 1.00 H new ATOM 848 N PHE A 54 -1.527 11.404 -19.977 1.00 1.00 N ATOM 849 CA PHE A 54 -0.818 12.515 -19.364 1.00 1.00 C ATOM 850 C PHE A 54 -1.365 13.832 -19.918 1.00 1.00 C ATOM 851 O PHE A 54 -2.230 13.784 -20.805 1.00 1.00 O ATOM 852 CB PHE A 54 0.688 12.380 -19.660 1.00 1.00 C ATOM 853 CG PHE A 54 1.296 11.042 -19.264 1.00 1.00 C ATOM 854 CD1 PHE A 54 1.291 9.957 -20.172 1.00 1.00 C ATOM 855 CD2 PHE A 54 1.865 10.874 -17.980 1.00 1.00 C ATOM 856 CE1 PHE A 54 1.851 8.717 -19.799 1.00 1.00 C ATOM 857 CE2 PHE A 54 2.426 9.634 -17.608 1.00 1.00 C ATOM 858 CZ PHE A 54 2.419 8.555 -18.518 1.00 1.00 C ATOM 0 H PHE A 54 -1.020 10.953 -20.739 1.00 1.00 H new ATOM 0 HA PHE A 54 -0.964 12.505 -18.284 1.00 1.00 H new ATOM 0 HB2 PHE A 54 0.850 12.536 -20.726 1.00 1.00 H new ATOM 0 HB3 PHE A 54 1.220 13.175 -19.137 1.00 1.00 H new ATOM 0 HD1 PHE A 54 0.857 10.078 -21.154 1.00 1.00 H new ATOM 0 HD2 PHE A 54 1.870 11.698 -17.282 1.00 1.00 H new ATOM 0 HE1 PHE A 54 1.845 7.891 -20.495 1.00 1.00 H new ATOM 0 HE2 PHE A 54 2.861 9.510 -16.627 1.00 1.00 H new ATOM 0 HZ PHE A 54 2.848 7.606 -18.234 1.00 1.00 H new ATOM 868 N GLU A 55 -0.859 14.962 -19.393 1.00 1.00 N ATOM 869 CA GLU A 55 -1.295 16.277 -19.833 1.00 1.00 C ATOM 870 C GLU A 55 -0.198 16.913 -20.689 1.00 1.00 C ATOM 871 O GLU A 55 -0.530 17.724 -21.565 1.00 1.00 O ATOM 872 CB GLU A 55 -1.654 17.175 -18.647 1.00 1.00 C ATOM 873 CG GLU A 55 -2.285 16.362 -17.515 1.00 1.00 C ATOM 874 CD GLU A 55 -2.560 17.243 -16.295 1.00 1.00 C ATOM 875 OE1 GLU A 55 -1.651 17.488 -15.489 1.00 1.00 O ATOM 876 OE2 GLU A 55 -3.770 17.680 -16.200 1.00 1.00 O ATOM 0 H GLU A 55 -0.147 14.979 -18.663 1.00 1.00 H new ATOM 0 HA GLU A 55 -2.199 16.164 -20.432 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -0.758 17.678 -18.283 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -2.346 17.952 -18.971 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.216 15.912 -17.861 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -1.621 15.544 -17.235 1.00 1.00 H new ATOM 883 N THR A 56 1.067 16.538 -20.424 1.00 1.00 N ATOM 884 CA THR A 56 2.198 17.068 -21.165 1.00 1.00 C ATOM 885 C THR A 56 3.042 15.908 -21.697 1.00 1.00 C ATOM 886 O THR A 56 2.997 14.823 -21.099 1.00 1.00 O ATOM 887 CB THR A 56 2.978 18.018 -20.253 1.00 1.00 C ATOM 888 OG1 THR A 56 2.679 17.559 -18.938 1.00 1.00 O ATOM 889 CG2 THR A 56 2.426 19.444 -20.285 1.00 1.00 C ATOM 0 H THR A 56 1.319 15.868 -19.698 1.00 1.00 H new ATOM 0 HA THR A 56 1.875 17.643 -22.033 1.00 1.00 H new ATOM 0 HB THR A 56 4.027 18.028 -20.550 1.00 1.00 H new ATOM 0 HG1 THR A 56 3.146 18.118 -18.282 1.00 1.00 H new ATOM 0 HG21 THR A 56 3.015 20.077 -19.621 1.00 1.00 H new ATOM 0 HG22 THR A 56 2.482 19.833 -21.302 1.00 1.00 H new ATOM 0 HG23 THR A 56 1.387 19.440 -19.955 1.00 1.00 H new ATOM 897 N LEU A 57 3.782 16.155 -22.793 1.00 1.00 N ATOM 898 CA LEU A 57 4.626 15.138 -23.397 1.00 1.00 C ATOM 899 C LEU A 57 5.769 14.795 -22.440 1.00 1.00 C ATOM 900 O LEU A 57 5.980 13.603 -22.176 1.00 1.00 O ATOM 901 CB LEU A 57 5.098 15.587 -24.782 1.00 1.00 C ATOM 902 CG LEU A 57 5.808 14.526 -25.625 1.00 1.00 C ATOM 903 CD1 LEU A 57 4.829 13.833 -26.574 1.00 1.00 C ATOM 904 CD2 LEU A 57 7.001 15.127 -26.371 1.00 1.00 C ATOM 0 H LEU A 57 3.805 17.056 -23.271 1.00 1.00 H new ATOM 0 HA LEU A 57 4.060 14.221 -23.560 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.233 15.947 -25.340 1.00 1.00 H new ATOM 0 HB3 LEU A 57 5.772 16.434 -24.657 1.00 1.00 H new ATOM 0 HG LEU A 57 6.199 13.762 -24.953 1.00 1.00 H new ATOM 0 HD11 LEU A 57 5.360 13.084 -27.161 1.00 1.00 H new ATOM 0 HD12 LEU A 57 4.042 13.350 -25.995 1.00 1.00 H new ATOM 0 HD13 LEU A 57 4.386 14.571 -27.243 1.00 1.00 H new ATOM 0 HD21 LEU A 57 7.488 14.352 -26.963 1.00 1.00 H new ATOM 0 HD22 LEU A 57 6.654 15.923 -27.030 1.00 1.00 H new ATOM 0 HD23 LEU A 57 7.712 15.535 -25.652 1.00 1.00 H new ATOM 916 N GLU A 58 6.473 15.830 -21.947 1.00 1.00 N ATOM 917 CA GLU A 58 7.583 15.640 -21.029 1.00 1.00 C ATOM 918 C GLU A 58 7.111 14.814 -19.831 1.00 1.00 C ATOM 919 O GLU A 58 7.869 13.942 -19.380 1.00 1.00 O ATOM 920 CB GLU A 58 8.173 16.976 -20.575 1.00 1.00 C ATOM 921 CG GLU A 58 9.692 16.880 -20.417 1.00 1.00 C ATOM 922 CD GLU A 58 10.275 18.202 -19.913 1.00 1.00 C ATOM 923 OE1 GLU A 58 9.638 18.893 -19.104 1.00 1.00 O ATOM 924 OE2 GLU A 58 11.435 18.503 -20.391 1.00 1.00 O ATOM 0 H GLU A 58 6.283 16.805 -22.177 1.00 1.00 H new ATOM 0 HA GLU A 58 8.377 15.103 -21.547 1.00 1.00 H new ATOM 0 HB2 GLU A 58 7.928 17.751 -21.301 1.00 1.00 H new ATOM 0 HB3 GLU A 58 7.723 17.273 -19.627 1.00 1.00 H new ATOM 0 HG2 GLU A 58 9.939 16.080 -19.719 1.00 1.00 H new ATOM 0 HG3 GLU A 58 10.145 16.620 -21.374 1.00 1.00 H new ATOM 931 N GLU A 59 5.889 15.098 -19.346 1.00 1.00 N ATOM 932 CA GLU A 59 5.326 14.386 -18.212 1.00 1.00 C ATOM 933 C GLU A 59 5.086 12.926 -18.600 1.00 1.00 C ATOM 934 O GLU A 59 5.424 12.040 -17.801 1.00 1.00 O ATOM 935 CB GLU A 59 4.033 15.043 -17.722 1.00 1.00 C ATOM 936 CG GLU A 59 3.948 15.013 -16.195 1.00 1.00 C ATOM 937 CD GLU A 59 3.378 16.325 -15.652 1.00 1.00 C ATOM 938 OE1 GLU A 59 4.141 17.354 -15.802 1.00 1.00 O ATOM 939 OE2 GLU A 59 2.260 16.341 -15.115 1.00 1.00 O ATOM 0 H GLU A 59 5.280 15.820 -19.731 1.00 1.00 H new ATOM 0 HA GLU A 59 6.036 14.427 -17.386 1.00 1.00 H new ATOM 0 HB2 GLU A 59 3.989 16.074 -18.072 1.00 1.00 H new ATOM 0 HB3 GLU A 59 3.174 14.525 -18.148 1.00 1.00 H new ATOM 0 HG2 GLU A 59 3.319 14.181 -15.878 1.00 1.00 H new ATOM 0 HG3 GLU A 59 4.939 14.842 -15.775 1.00 1.00 H new ATOM 946 N CYS A 60 4.516 12.707 -19.798 1.00 1.00 N ATOM 947 CA CYS A 60 4.235 11.367 -20.284 1.00 1.00 C ATOM 948 C CYS A 60 5.552 10.616 -20.487 1.00 1.00 C ATOM 949 O CYS A 60 5.572 9.394 -20.281 1.00 1.00 O ATOM 950 CB CYS A 60 3.399 11.408 -21.565 1.00 1.00 C ATOM 951 SG CYS A 60 3.367 9.853 -22.504 1.00 1.00 S ATOM 0 H CYS A 60 4.244 13.451 -20.441 1.00 1.00 H new ATOM 0 HA CYS A 60 3.642 10.832 -19.542 1.00 1.00 H new ATOM 0 HB2 CYS A 60 2.376 11.681 -21.306 1.00 1.00 H new ATOM 0 HB3 CYS A 60 3.786 12.197 -22.209 1.00 1.00 H new ATOM 0 HG CYS A 60 4.483 9.717 -23.156 1.00 1.00 H new ATOM 957 N LYS A 61 6.609 11.349 -20.880 1.00 1.00 N ATOM 958 CA LYS A 61 7.916 10.757 -21.107 1.00 1.00 C ATOM 959 C LYS A 61 8.624 10.561 -19.765 1.00 1.00 C ATOM 960 O LYS A 61 9.365 9.577 -19.627 1.00 1.00 O ATOM 961 CB LYS A 61 8.716 11.593 -22.108 1.00 1.00 C ATOM 962 CG LYS A 61 8.254 11.324 -23.541 1.00 1.00 C ATOM 963 CD LYS A 61 9.377 11.606 -24.542 1.00 1.00 C ATOM 964 CE LYS A 61 8.982 11.156 -25.950 1.00 1.00 C ATOM 965 NZ LYS A 61 8.985 9.687 -26.042 1.00 1.00 N ATOM 0 H LYS A 61 6.571 12.355 -21.044 1.00 1.00 H new ATOM 0 HA LYS A 61 7.813 9.771 -21.560 1.00 1.00 H new ATOM 0 HB2 LYS A 61 8.600 12.652 -21.878 1.00 1.00 H new ATOM 0 HB3 LYS A 61 9.777 11.361 -22.015 1.00 1.00 H new ATOM 0 HG2 LYS A 61 7.931 10.287 -23.634 1.00 1.00 H new ATOM 0 HG3 LYS A 61 7.391 11.949 -23.772 1.00 1.00 H new ATOM 0 HD2 LYS A 61 9.605 12.672 -24.548 1.00 1.00 H new ATOM 0 HD3 LYS A 61 10.284 11.088 -24.232 1.00 1.00 H new ATOM 0 HE2 LYS A 61 7.992 11.540 -26.196 1.00 1.00 H new ATOM 0 HE3 LYS A 61 9.676 11.573 -26.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 8.748 9.399 -27.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 9.928 9.326 -25.794 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 8.281 9.296 -25.384 1.00 1.00 H new ATOM 979 N ASN A 62 8.386 11.486 -18.818 1.00 1.00 N ATOM 980 CA ASN A 62 8.996 11.416 -17.501 1.00 1.00 C ATOM 981 C ASN A 62 8.556 10.124 -16.809 1.00 1.00 C ATOM 982 O ASN A 62 9.421 9.426 -16.260 1.00 1.00 O ATOM 983 CB ASN A 62 8.558 12.593 -16.628 1.00 1.00 C ATOM 984 CG ASN A 62 9.768 13.387 -16.132 1.00 1.00 C ATOM 985 OD1 ASN A 62 10.619 12.888 -15.415 1.00 1.00 O ATOM 986 ND2 ASN A 62 9.796 14.649 -16.551 1.00 1.00 N ATOM 0 H ASN A 62 7.772 12.289 -18.952 1.00 1.00 H new ATOM 0 HA ASN A 62 10.078 11.445 -17.628 1.00 1.00 H new ATOM 0 HB2 ASN A 62 7.898 13.247 -17.198 1.00 1.00 H new ATOM 0 HB3 ASN A 62 7.985 12.226 -15.776 1.00 1.00 H new ATOM 0 HD21 ASN A 62 10.563 15.262 -16.273 1.00 1.00 H new ATOM 0 HD22 ASN A 62 9.051 15.004 -17.150 1.00 1.00 H new ATOM 993 N ILE A 63 7.243 9.837 -16.848 1.00 1.00 N ATOM 994 CA ILE A 63 6.698 8.641 -16.229 1.00 1.00 C ATOM 995 C ILE A 63 7.024 7.426 -17.101 1.00 1.00 C ATOM 996 O ILE A 63 7.389 6.381 -16.543 1.00 1.00 O ATOM 997 CB ILE A 63 5.203 8.814 -15.952 1.00 1.00 C ATOM 998 CG1 ILE A 63 4.964 9.305 -14.523 1.00 1.00 C ATOM 999 CG2 ILE A 63 4.436 7.525 -16.251 1.00 1.00 C ATOM 1000 CD1 ILE A 63 3.591 9.969 -14.394 1.00 1.00 C ATOM 0 H ILE A 63 6.547 10.426 -17.306 1.00 1.00 H new ATOM 0 HA ILE A 63 7.162 8.471 -15.257 1.00 1.00 H new ATOM 0 HB ILE A 63 4.818 9.580 -16.625 1.00 1.00 H new ATOM 0 HG12 ILE A 63 5.033 8.466 -13.830 1.00 1.00 H new ATOM 0 HG13 ILE A 63 5.743 10.014 -14.243 1.00 1.00 H new ATOM 0 HG21 ILE A 63 3.376 7.676 -16.045 1.00 1.00 H new ATOM 0 HG22 ILE A 63 4.568 7.258 -17.300 1.00 1.00 H new ATOM 0 HG23 ILE A 63 4.817 6.721 -15.621 1.00 1.00 H new ATOM 0 HD11 ILE A 63 3.446 10.309 -13.369 1.00 1.00 H new ATOM 0 HD12 ILE A 63 3.534 10.822 -15.071 1.00 1.00 H new ATOM 0 HD13 ILE A 63 2.813 9.250 -14.651 1.00 1.00 H new ATOM 1012 N CYS A 64 6.890 7.585 -18.430 1.00 1.00 N ATOM 1013 CA CYS A 64 7.168 6.510 -19.366 1.00 1.00 C ATOM 1014 C CYS A 64 8.646 6.552 -19.760 1.00 1.00 C ATOM 1015 O CYS A 64 9.452 5.881 -19.099 1.00 1.00 O ATOM 1016 CB CYS A 64 6.250 6.589 -20.587 1.00 1.00 C ATOM 1017 SG CYS A 64 4.493 6.846 -20.204 1.00 1.00 S ATOM 0 H CYS A 64 6.589 8.455 -18.869 1.00 1.00 H new ATOM 0 HA CYS A 64 6.964 5.553 -18.886 1.00 1.00 H new ATOM 0 HB2 CYS A 64 6.590 7.402 -21.228 1.00 1.00 H new ATOM 0 HB3 CYS A 64 6.351 5.668 -21.160 1.00 1.00 H new ATOM 0 HG CYS A 64 4.116 5.989 -19.302 1.00 1.00 H new ATOM 1023 N GLU A 65 8.967 7.327 -20.811 1.00 1.00 N ATOM 1024 CA GLU A 65 10.335 7.454 -21.285 1.00 1.00 C ATOM 1025 C GLU A 65 11.295 7.331 -20.100 1.00 1.00 C ATOM 1026 O GLU A 65 12.381 6.761 -20.278 1.00 1.00 O ATOM 1027 CB GLU A 65 10.551 8.772 -22.031 1.00 1.00 C ATOM 1028 CG GLU A 65 10.422 8.574 -23.543 1.00 1.00 C ATOM 1029 CD GLU A 65 11.700 9.008 -24.264 1.00 1.00 C ATOM 1030 OE1 GLU A 65 12.543 9.697 -23.670 1.00 1.00 O ATOM 1031 OE2 GLU A 65 11.802 8.603 -25.484 1.00 1.00 O ATOM 0 H GLU A 65 8.288 7.872 -21.342 1.00 1.00 H new ATOM 0 HA GLU A 65 10.535 6.651 -21.994 1.00 1.00 H new ATOM 0 HB2 GLU A 65 9.822 9.509 -21.694 1.00 1.00 H new ATOM 0 HB3 GLU A 65 11.538 9.170 -21.796 1.00 1.00 H new ATOM 0 HG2 GLU A 65 10.216 7.526 -23.760 1.00 1.00 H new ATOM 0 HG3 GLU A 65 9.575 9.149 -23.918 1.00 1.00 H new ATOM 1038 N ASP A 66 10.882 7.860 -18.934 1.00 1.00 N ATOM 1039 CA ASP A 66 11.700 7.809 -17.734 1.00 1.00 C ATOM 1040 C ASP A 66 12.449 9.134 -17.576 1.00 1.00 C ATOM 1041 O ASP A 66 12.444 9.931 -18.526 1.00 1.00 O ATOM 1042 CB ASP A 66 12.736 6.687 -17.820 1.00 1.00 C ATOM 1043 CG ASP A 66 14.057 7.076 -18.486 1.00 1.00 C ATOM 1044 OD1 ASP A 66 13.993 8.102 -19.266 1.00 1.00 O ATOM 1045 OD2 ASP A 66 15.095 6.432 -18.272 1.00 1.00 O ATOM 0 H ASP A 66 9.983 8.326 -18.809 1.00 1.00 H new ATOM 0 HA ASP A 66 11.041 7.626 -16.885 1.00 1.00 H new ATOM 0 HB2 ASP A 66 12.946 6.329 -16.812 1.00 1.00 H new ATOM 0 HB3 ASP A 66 12.301 5.853 -18.370 1.00 1.00 H new