USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 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 -101:sc= -15! USER MOD Set 1.2: A 39 CYS SG : rot -80:sc= -14.3! USER MOD Set 1.3: A 60 CYS SG : rot -84:sc= -14.4! USER MOD Set 1.4: A 64 CYS SG : rot -36:sc= -21.8! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 30 TYR OH : rot 165:sc= -0.184 USER MOD Single : A 32 TYR OH : rot -75:sc= 0.821 USER MOD Single : A 33 ASN : amide:sc= 0.53 K(o=0.53,f=-8.1!) USER MOD Single : A 34 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 130:sc= -2.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,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= -5.39! C(o=-5.4!,f=-6.9!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.73! C(o=-2.7!,f=-11!) USER MOD Single : A 53 ASN :FLIP amide:sc= -8.35! C(o=-8.9!,f=-8.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.159 (180deg=-1.5) USER MOD Single : A 62 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 4.289 14.735 -11.748 1.00 1.00 N ATOM 146 CA LYS A 10 5.693 14.395 -11.898 1.00 1.00 C ATOM 147 C LYS A 10 5.827 13.212 -12.860 1.00 1.00 C ATOM 148 O LYS A 10 4.863 12.443 -12.986 1.00 1.00 O ATOM 149 CB LYS A 10 6.334 14.150 -10.531 1.00 1.00 C ATOM 150 CG LYS A 10 7.486 15.126 -10.283 1.00 1.00 C ATOM 151 CD LYS A 10 8.666 14.422 -9.609 1.00 1.00 C ATOM 152 CE LYS A 10 8.906 14.978 -8.204 1.00 1.00 C ATOM 153 NZ LYS A 10 9.764 14.066 -7.429 1.00 1.00 N ATOM 0 HA LYS A 10 6.241 15.228 -12.337 1.00 1.00 H new ATOM 0 HB2 LYS A 10 5.584 14.261 -9.748 1.00 1.00 H new ATOM 0 HB3 LYS A 10 6.702 13.126 -10.476 1.00 1.00 H new ATOM 0 HG2 LYS A 10 7.809 15.560 -11.229 1.00 1.00 H new ATOM 0 HG3 LYS A 10 7.142 15.948 -9.656 1.00 1.00 H new ATOM 0 HD2 LYS A 10 8.471 13.351 -9.552 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.564 14.550 -10.213 1.00 1.00 H new ATOM 0 HE2 LYS A 10 9.375 15.960 -8.270 1.00 1.00 H new ATOM 0 HE3 LYS A 10 7.953 15.113 -7.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 9.917 14.458 -6.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 9.302 13.138 -7.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 10.679 13.958 -7.910 1.00 1.00 H new ATOM 167 N PRO A 11 6.999 13.093 -13.509 1.00 1.00 N ATOM 168 CA PRO A 11 7.287 12.029 -14.455 1.00 1.00 C ATOM 169 C PRO A 11 7.501 10.697 -13.734 1.00 1.00 C ATOM 170 O PRO A 11 8.562 10.525 -13.115 1.00 1.00 O ATOM 171 CB PRO A 11 8.519 12.499 -15.213 1.00 1.00 C ATOM 172 CG PRO A 11 9.146 13.585 -14.354 1.00 1.00 C ATOM 173 CD PRO A 11 8.128 13.995 -13.303 1.00 1.00 C ATOM 0 HA PRO A 11 6.461 11.841 -15.141 1.00 1.00 H new ATOM 0 HB2 PRO A 11 9.216 11.677 -15.374 1.00 1.00 H new ATOM 0 HB3 PRO A 11 8.249 12.885 -16.196 1.00 1.00 H new ATOM 0 HG2 PRO A 11 10.057 13.219 -13.880 1.00 1.00 H new ATOM 0 HG3 PRO A 11 9.428 14.441 -14.967 1.00 1.00 H new ATOM 0 HD2 PRO A 11 8.536 13.896 -12.297 1.00 1.00 H new ATOM 0 HD3 PRO A 11 7.830 15.036 -13.425 1.00 1.00 H new ATOM 181 N ASP A 12 6.507 9.796 -13.825 1.00 1.00 N ATOM 182 CA ASP A 12 6.586 8.494 -13.186 1.00 1.00 C ATOM 183 C ASP A 12 7.748 7.703 -13.791 1.00 1.00 C ATOM 184 O ASP A 12 8.345 6.889 -13.071 1.00 1.00 O ATOM 185 CB ASP A 12 5.302 7.692 -13.408 1.00 1.00 C ATOM 186 CG ASP A 12 4.096 8.165 -12.594 1.00 1.00 C ATOM 187 OD1 ASP A 12 4.252 9.295 -11.993 1.00 1.00 O ATOM 188 OD2 ASP A 12 3.058 7.487 -12.538 1.00 1.00 O ATOM 0 H ASP A 12 5.641 9.958 -14.340 1.00 1.00 H new ATOM 0 HA ASP A 12 6.732 8.652 -12.117 1.00 1.00 H new ATOM 0 HB2 ASP A 12 5.045 7.732 -14.467 1.00 1.00 H new ATOM 0 HB3 ASP A 12 5.497 6.647 -13.166 1.00 1.00 H new ATOM 193 N PHE A 13 8.040 7.954 -15.079 1.00 1.00 N ATOM 194 CA PHE A 13 9.120 7.271 -15.771 1.00 1.00 C ATOM 195 C PHE A 13 10.421 7.457 -14.987 1.00 1.00 C ATOM 196 O PHE A 13 11.293 6.581 -15.075 1.00 1.00 O ATOM 197 CB PHE A 13 9.253 7.843 -17.196 1.00 1.00 C ATOM 198 CG PHE A 13 9.835 9.249 -17.263 1.00 1.00 C ATOM 199 CD1 PHE A 13 11.192 9.477 -16.933 1.00 1.00 C ATOM 200 CD2 PHE A 13 9.019 10.336 -17.651 1.00 1.00 C ATOM 201 CE1 PHE A 13 11.727 10.782 -16.992 1.00 1.00 C ATOM 202 CE2 PHE A 13 9.555 11.640 -17.711 1.00 1.00 C ATOM 203 CZ PHE A 13 10.908 11.863 -17.382 1.00 1.00 C ATOM 0 H PHE A 13 7.535 8.629 -15.654 1.00 1.00 H new ATOM 0 HA PHE A 13 8.906 6.205 -15.842 1.00 1.00 H new ATOM 0 HB2 PHE A 13 9.882 7.175 -17.784 1.00 1.00 H new ATOM 0 HB3 PHE A 13 8.269 7.849 -17.664 1.00 1.00 H new ATOM 0 HD1 PHE A 13 11.820 8.650 -16.635 1.00 1.00 H new ATOM 0 HD2 PHE A 13 7.982 10.168 -17.902 1.00 1.00 H new ATOM 0 HE1 PHE A 13 12.763 10.953 -16.739 1.00 1.00 H new ATOM 0 HE2 PHE A 13 8.929 12.468 -18.009 1.00 1.00 H new ATOM 0 HZ PHE A 13 11.317 12.861 -17.429 1.00 1.00 H new ATOM 213 N CYS A 14 10.523 8.577 -14.249 1.00 1.00 N ATOM 214 CA CYS A 14 11.706 8.872 -13.459 1.00 1.00 C ATOM 215 C CYS A 14 11.862 7.812 -12.366 1.00 1.00 C ATOM 216 O CYS A 14 13.000 7.391 -12.111 1.00 1.00 O ATOM 217 CB CYS A 14 11.643 10.286 -12.877 1.00 1.00 C ATOM 218 SG CYS A 14 12.160 11.602 -14.018 1.00 1.00 S ATOM 0 H CYS A 14 9.793 9.287 -14.191 1.00 1.00 H new ATOM 0 HA CYS A 14 12.586 8.839 -14.102 1.00 1.00 H new ATOM 0 HB2 CYS A 14 10.622 10.485 -12.553 1.00 1.00 H new ATOM 0 HB3 CYS A 14 12.273 10.327 -11.988 1.00 1.00 H new ATOM 0 HG CYS A 14 13.379 11.961 -13.743 1.00 1.00 H new ATOM 224 N PHE A 15 10.735 7.409 -11.753 1.00 1.00 N ATOM 225 CA PHE A 15 10.747 6.409 -10.699 1.00 1.00 C ATOM 226 C PHE A 15 10.871 5.018 -11.324 1.00 1.00 C ATOM 227 O PHE A 15 10.952 4.038 -10.569 1.00 1.00 O ATOM 228 CB PHE A 15 9.451 6.525 -9.874 1.00 1.00 C ATOM 229 CG PHE A 15 9.036 7.952 -9.539 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.952 8.836 -8.924 1.00 1.00 C ATOM 231 CD2 PHE A 15 7.728 8.398 -9.838 1.00 1.00 C ATOM 232 CE1 PHE A 15 9.563 10.156 -8.611 1.00 1.00 C ATOM 233 CE2 PHE A 15 7.340 9.718 -9.525 1.00 1.00 C ATOM 234 CZ PHE A 15 8.257 10.597 -8.913 1.00 1.00 C ATOM 0 H PHE A 15 9.807 7.769 -11.978 1.00 1.00 H new ATOM 0 HA PHE A 15 11.598 6.570 -10.037 1.00 1.00 H new ATOM 0 HB2 PHE A 15 8.642 6.045 -10.424 1.00 1.00 H new ATOM 0 HB3 PHE A 15 9.577 5.970 -8.944 1.00 1.00 H new ATOM 0 HD1 PHE A 15 10.952 8.500 -8.693 1.00 1.00 H new ATOM 0 HD2 PHE A 15 7.024 7.727 -10.307 1.00 1.00 H new ATOM 0 HE1 PHE A 15 10.265 10.829 -8.140 1.00 1.00 H new ATOM 0 HE2 PHE A 15 6.340 10.055 -9.754 1.00 1.00 H new ATOM 0 HZ PHE A 15 7.960 11.608 -8.675 1.00 1.00 H new ATOM 244 N LEU A 16 10.882 4.960 -12.667 1.00 1.00 N ATOM 245 CA LEU A 16 10.995 3.701 -13.383 1.00 1.00 C ATOM 246 C LEU A 16 12.430 3.182 -13.271 1.00 1.00 C ATOM 247 O LEU A 16 13.338 3.841 -13.798 1.00 1.00 O ATOM 248 CB LEU A 16 10.509 3.859 -14.825 1.00 1.00 C ATOM 249 CG LEU A 16 9.564 2.770 -15.338 1.00 1.00 C ATOM 250 CD1 LEU A 16 10.243 1.399 -15.315 1.00 1.00 C ATOM 251 CD2 LEU A 16 8.250 2.772 -14.554 1.00 1.00 C ATOM 0 H LEU A 16 10.813 5.780 -13.270 1.00 1.00 H new ATOM 0 HA LEU A 16 10.348 2.948 -12.934 1.00 1.00 H new ATOM 0 HB2 LEU A 16 10.005 4.821 -14.914 1.00 1.00 H new ATOM 0 HB3 LEU A 16 11.380 3.894 -15.479 1.00 1.00 H new ATOM 0 HG LEU A 16 9.320 2.991 -16.377 1.00 1.00 H new ATOM 0 HD11 LEU A 16 9.550 0.643 -15.684 1.00 1.00 H new ATOM 0 HD12 LEU A 16 11.128 1.421 -15.950 1.00 1.00 H new ATOM 0 HD13 LEU A 16 10.535 1.155 -14.294 1.00 1.00 H new ATOM 0 HD21 LEU A 16 7.596 1.989 -14.938 1.00 1.00 H new ATOM 0 HD22 LEU A 16 8.455 2.588 -13.499 1.00 1.00 H new ATOM 0 HD23 LEU A 16 7.761 3.740 -14.665 1.00 1.00 H new ATOM 263 N GLU A 17 12.603 2.030 -12.599 1.00 1.00 N ATOM 264 CA GLU A 17 13.915 1.431 -12.422 1.00 1.00 C ATOM 265 C GLU A 17 14.750 1.660 -13.683 1.00 1.00 C ATOM 266 O GLU A 17 14.159 1.794 -14.765 1.00 1.00 O ATOM 267 CB GLU A 17 13.813 -0.060 -12.094 1.00 1.00 C ATOM 268 CG GLU A 17 13.705 -0.895 -13.371 1.00 1.00 C ATOM 269 CD GLU A 17 13.601 -2.386 -13.044 1.00 1.00 C ATOM 270 OE1 GLU A 17 13.200 -2.749 -11.928 1.00 1.00 O ATOM 271 OE2 GLU A 17 13.953 -3.180 -13.997 1.00 1.00 O ATOM 0 H GLU A 17 11.841 1.503 -12.173 1.00 1.00 H new ATOM 0 HA GLU A 17 14.406 1.909 -11.574 1.00 1.00 H new ATOM 0 HB2 GLU A 17 14.688 -0.372 -11.524 1.00 1.00 H new ATOM 0 HB3 GLU A 17 12.942 -0.239 -11.463 1.00 1.00 H new ATOM 0 HG2 GLU A 17 12.830 -0.582 -13.941 1.00 1.00 H new ATOM 0 HG3 GLU A 17 14.577 -0.717 -14.001 1.00 1.00 H new ATOM 278 N GLU A 18 16.085 1.699 -13.523 1.00 1.00 N ATOM 279 CA GLU A 18 16.989 1.909 -14.642 1.00 1.00 C ATOM 280 C GLU A 18 16.830 0.763 -15.643 1.00 1.00 C ATOM 281 O GLU A 18 16.587 -0.372 -15.206 1.00 1.00 O ATOM 282 CB GLU A 18 18.441 2.032 -14.175 1.00 1.00 C ATOM 283 CG GLU A 18 19.116 0.660 -14.116 1.00 1.00 C ATOM 284 CD GLU A 18 20.116 0.591 -12.960 1.00 1.00 C ATOM 285 OE1 GLU A 18 19.588 0.484 -11.788 1.00 1.00 O ATOM 286 OE2 GLU A 18 21.333 0.640 -13.190 1.00 1.00 O ATOM 0 H GLU A 18 16.552 1.586 -12.623 1.00 1.00 H new ATOM 0 HA GLU A 18 16.731 2.850 -15.129 1.00 1.00 H new ATOM 0 HB2 GLU A 18 18.991 2.683 -14.854 1.00 1.00 H new ATOM 0 HB3 GLU A 18 18.472 2.499 -13.191 1.00 1.00 H new ATOM 0 HG2 GLU A 18 18.360 -0.116 -13.995 1.00 1.00 H new ATOM 0 HG3 GLU A 18 19.628 0.462 -15.057 1.00 1.00 H new ATOM 293 N ASP A 19 16.966 1.076 -16.944 1.00 1.00 N ATOM 294 CA ASP A 19 16.839 0.079 -17.993 1.00 1.00 C ATOM 295 C ASP A 19 17.747 0.459 -19.164 1.00 1.00 C ATOM 296 O ASP A 19 17.396 1.390 -19.905 1.00 1.00 O ATOM 297 CB ASP A 19 15.402 0.008 -18.513 1.00 1.00 C ATOM 298 CG ASP A 19 15.005 -1.332 -19.136 1.00 1.00 C ATOM 299 OD1 ASP A 19 15.837 -2.296 -18.931 1.00 1.00 O ATOM 300 OD2 ASP A 19 13.955 -1.449 -19.785 1.00 1.00 O ATOM 0 H ASP A 19 17.164 2.017 -17.283 1.00 1.00 H new ATOM 0 HA ASP A 19 17.120 -0.888 -17.576 1.00 1.00 H new ATOM 0 HB2 ASP A 19 14.722 0.224 -17.689 1.00 1.00 H new ATOM 0 HB3 ASP A 19 15.261 0.793 -19.256 1.00 1.00 H new ATOM 305 N PRO A 20 18.877 -0.256 -19.306 1.00 1.00 N ATOM 306 CA PRO A 20 19.846 -0.024 -20.365 1.00 1.00 C ATOM 307 C PRO A 20 19.367 -0.625 -21.688 1.00 1.00 C ATOM 308 O PRO A 20 19.790 -0.135 -22.745 1.00 1.00 O ATOM 309 CB PRO A 20 21.136 -0.649 -19.861 1.00 1.00 C ATOM 310 CG PRO A 20 20.730 -1.609 -18.754 1.00 1.00 C ATOM 311 CD PRO A 20 19.292 -1.298 -18.372 1.00 1.00 C ATOM 0 HA PRO A 20 19.989 1.035 -20.580 1.00 1.00 H new ATOM 0 HB2 PRO A 20 21.655 -1.175 -20.663 1.00 1.00 H new ATOM 0 HB3 PRO A 20 21.819 0.113 -19.486 1.00 1.00 H new ATOM 0 HG2 PRO A 20 20.821 -2.641 -19.092 1.00 1.00 H new ATOM 0 HG3 PRO A 20 21.387 -1.497 -17.891 1.00 1.00 H new ATOM 0 HD2 PRO A 20 18.660 -2.182 -18.458 1.00 1.00 H new ATOM 0 HD3 PRO A 20 19.222 -0.955 -17.340 1.00 1.00 H new ATOM 319 N GLY A 21 18.508 -1.657 -21.605 1.00 1.00 N ATOM 320 CA GLY A 21 17.979 -2.315 -22.787 1.00 1.00 C ATOM 321 C GLY A 21 18.586 -3.715 -22.900 1.00 1.00 C ATOM 322 O GLY A 21 19.185 -4.179 -21.919 1.00 1.00 O ATOM 0 H GLY A 21 18.172 -2.045 -20.724 1.00 1.00 H new ATOM 0 HA2 GLY A 21 16.893 -2.381 -22.725 1.00 1.00 H new ATOM 0 HA3 GLY A 21 18.213 -1.732 -23.678 1.00 1.00 H new ATOM 326 N ILE A 22 18.423 -4.349 -24.075 1.00 1.00 N ATOM 327 CA ILE A 22 18.952 -5.682 -24.311 1.00 1.00 C ATOM 328 C ILE A 22 20.385 -5.572 -24.835 1.00 1.00 C ATOM 329 O ILE A 22 21.263 -6.265 -24.301 1.00 1.00 O ATOM 330 CB ILE A 22 18.019 -6.473 -25.230 1.00 1.00 C ATOM 331 CG1 ILE A 22 16.593 -5.921 -25.171 1.00 1.00 C ATOM 332 CG2 ILE A 22 18.069 -7.968 -24.908 1.00 1.00 C ATOM 333 CD1 ILE A 22 15.578 -6.977 -25.616 1.00 1.00 C ATOM 0 H ILE A 22 17.926 -3.949 -24.871 1.00 1.00 H new ATOM 0 HA ILE A 22 18.996 -6.245 -23.379 1.00 1.00 H new ATOM 0 HB ILE A 22 18.368 -6.353 -26.256 1.00 1.00 H new ATOM 0 HG12 ILE A 22 16.366 -5.598 -24.155 1.00 1.00 H new ATOM 0 HG13 ILE A 22 16.513 -5.042 -25.810 1.00 1.00 H new ATOM 0 HG21 ILE A 22 17.397 -8.507 -25.576 1.00 1.00 H new ATOM 0 HG22 ILE A 22 19.086 -8.336 -25.043 1.00 1.00 H new ATOM 0 HG23 ILE A 22 17.760 -8.128 -23.875 1.00 1.00 H new ATOM 0 HD11 ILE A 22 14.572 -6.559 -25.565 1.00 1.00 H new ATOM 0 HD12 ILE A 22 15.794 -7.280 -26.641 1.00 1.00 H new ATOM 0 HD13 ILE A 22 15.644 -7.845 -24.960 1.00 1.00 H new ATOM 345 N CYS A 23 20.590 -4.718 -25.854 1.00 1.00 N ATOM 346 CA CYS A 23 21.904 -4.523 -26.442 1.00 1.00 C ATOM 347 C CYS A 23 22.912 -4.209 -25.335 1.00 1.00 C ATOM 348 O CYS A 23 22.523 -4.239 -24.158 1.00 1.00 O ATOM 349 CB CYS A 23 21.872 -3.429 -27.512 1.00 1.00 C ATOM 350 SG CYS A 23 21.080 -3.913 -29.074 1.00 1.00 S ATOM 0 H CYS A 23 19.853 -4.156 -26.280 1.00 1.00 H new ATOM 0 HA CYS A 23 22.215 -5.440 -26.943 1.00 1.00 H new ATOM 0 HB2 CYS A 23 21.349 -2.562 -27.109 1.00 1.00 H new ATOM 0 HB3 CYS A 23 22.895 -3.115 -27.721 1.00 1.00 H new ATOM 0 HG CYS A 23 21.108 -2.912 -29.903 1.00 1.00 H new ATOM 356 N ARG A 24 24.165 -3.919 -25.726 1.00 1.00 N ATOM 357 CA ARG A 24 25.216 -3.603 -24.773 1.00 1.00 C ATOM 358 C ARG A 24 25.425 -2.088 -24.734 1.00 1.00 C ATOM 359 O ARG A 24 25.043 -1.466 -23.732 1.00 1.00 O ATOM 360 CB ARG A 24 26.535 -4.284 -25.142 1.00 1.00 C ATOM 361 CG ARG A 24 26.493 -4.822 -26.574 1.00 1.00 C ATOM 362 CD ARG A 24 27.761 -5.613 -26.900 1.00 1.00 C ATOM 363 NE ARG A 24 27.997 -5.611 -28.361 1.00 1.00 N ATOM 364 CZ ARG A 24 27.287 -6.346 -29.244 1.00 1.00 C ATOM 365 NH1 ARG A 24 26.303 -7.133 -28.790 1.00 1.00 N ATOM 366 NH2 ARG A 24 27.563 -6.288 -30.554 1.00 1.00 N ATOM 0 H ARG A 24 24.464 -3.900 -26.701 1.00 1.00 H new ATOM 0 HA ARG A 24 24.906 -3.971 -23.795 1.00 1.00 H new ATOM 0 HB2 ARG A 24 27.356 -3.574 -25.040 1.00 1.00 H new ATOM 0 HB3 ARG A 24 26.733 -5.101 -24.448 1.00 1.00 H new ATOM 0 HG2 ARG A 24 25.619 -5.461 -26.701 1.00 1.00 H new ATOM 0 HG3 ARG A 24 26.387 -3.994 -27.274 1.00 1.00 H new ATOM 0 HD2 ARG A 24 28.616 -5.175 -26.385 1.00 1.00 H new ATOM 0 HD3 ARG A 24 27.663 -6.637 -26.540 1.00 1.00 H new ATOM 0 HE ARG A 24 28.743 -5.017 -28.724 1.00 1.00 H new ATOM 0 HH11 ARG A 24 26.100 -7.171 -27.791 1.00 1.00 H new ATOM 0 HH12 ARG A 24 25.757 -7.695 -29.443 1.00 1.00 H new ATOM 0 HH21 ARG A 24 28.314 -5.686 -30.891 1.00 1.00 H new ATOM 0 HH22 ARG A 24 27.022 -6.846 -31.214 1.00 1.00 H new ATOM 380 N GLY A 25 26.017 -1.534 -25.807 1.00 1.00 N ATOM 381 CA GLY A 25 26.272 -0.106 -25.894 1.00 1.00 C ATOM 382 C GLY A 25 26.156 0.514 -24.500 1.00 1.00 C ATOM 383 O GLY A 25 25.042 0.902 -24.119 1.00 1.00 O ATOM 0 H GLY A 25 26.324 -2.065 -26.622 1.00 1.00 H new ATOM 0 HA2 GLY A 25 27.266 0.073 -26.303 1.00 1.00 H new ATOM 0 HA3 GLY A 25 25.559 0.362 -26.573 1.00 1.00 H new ATOM 387 N TYR A 26 27.289 0.594 -23.780 1.00 1.00 N ATOM 388 CA TYR A 26 27.244 1.170 -22.446 1.00 1.00 C ATOM 389 C TYR A 26 27.603 2.655 -22.524 1.00 1.00 C ATOM 390 O TYR A 26 28.445 3.008 -23.363 1.00 1.00 O ATOM 391 CB TYR A 26 28.196 0.398 -21.513 1.00 1.00 C ATOM 392 CG TYR A 26 27.712 -0.993 -21.129 1.00 1.00 C ATOM 393 CD1 TYR A 26 26.365 -1.361 -21.353 1.00 1.00 C ATOM 394 CD2 TYR A 26 28.604 -1.927 -20.553 1.00 1.00 C ATOM 395 CE1 TYR A 26 25.913 -2.650 -21.001 1.00 1.00 C ATOM 396 CE2 TYR A 26 28.152 -3.217 -20.201 1.00 1.00 C ATOM 397 CZ TYR A 26 26.805 -3.579 -20.424 1.00 1.00 C ATOM 398 OH TYR A 26 26.363 -4.826 -20.084 1.00 1.00 O ATOM 0 H TYR A 26 28.207 0.278 -24.092 1.00 1.00 H new ATOM 0 HA TYR A 26 26.239 1.087 -22.033 1.00 1.00 H new ATOM 0 HB2 TYR A 26 29.168 0.310 -21.999 1.00 1.00 H new ATOM 0 HB3 TYR A 26 28.346 0.981 -20.604 1.00 1.00 H new ATOM 0 HD1 TYR A 26 25.680 -0.653 -21.795 1.00 1.00 H new ATOM 0 HD2 TYR A 26 29.634 -1.652 -20.382 1.00 1.00 H new ATOM 0 HE1 TYR A 26 24.883 -2.926 -21.173 1.00 1.00 H new ATOM 0 HE2 TYR A 26 28.836 -3.927 -19.761 1.00 1.00 H new ATOM 0 HH TYR A 26 27.103 -5.342 -19.700 1.00 1.00 H new ATOM 408 N ILE A 27 26.967 3.481 -21.675 1.00 1.00 N ATOM 409 CA ILE A 27 27.215 4.913 -21.662 1.00 1.00 C ATOM 410 C ILE A 27 26.927 5.464 -20.264 1.00 1.00 C ATOM 411 O ILE A 27 25.835 5.201 -19.740 1.00 1.00 O ATOM 412 CB ILE A 27 26.420 5.604 -22.771 1.00 1.00 C ATOM 413 CG1 ILE A 27 26.217 4.669 -23.965 1.00 1.00 C ATOM 414 CG2 ILE A 27 27.082 6.922 -23.181 1.00 1.00 C ATOM 415 CD1 ILE A 27 25.301 5.307 -25.011 1.00 1.00 C ATOM 0 H ILE A 27 26.277 3.169 -20.991 1.00 1.00 H new ATOM 0 HA ILE A 27 28.263 5.120 -21.876 1.00 1.00 H new ATOM 0 HB ILE A 27 25.432 5.848 -22.381 1.00 1.00 H new ATOM 0 HG12 ILE A 27 27.181 4.434 -24.416 1.00 1.00 H new ATOM 0 HG13 ILE A 27 25.786 3.727 -23.625 1.00 1.00 H new ATOM 0 HG21 ILE A 27 26.497 7.393 -23.971 1.00 1.00 H new ATOM 0 HG22 ILE A 27 27.131 7.588 -22.320 1.00 1.00 H new ATOM 0 HG23 ILE A 27 28.090 6.725 -23.545 1.00 1.00 H new ATOM 0 HD11 ILE A 27 25.173 4.622 -25.849 1.00 1.00 H new ATOM 0 HD12 ILE A 27 24.330 5.518 -24.564 1.00 1.00 H new ATOM 0 HD13 ILE A 27 25.747 6.236 -25.367 1.00 1.00 H new ATOM 427 N THR A 28 27.897 6.205 -19.698 1.00 1.00 N ATOM 428 CA THR A 28 27.748 6.785 -18.374 1.00 1.00 C ATOM 429 C THR A 28 26.500 7.670 -18.347 1.00 1.00 C ATOM 430 O THR A 28 26.636 8.887 -18.544 1.00 1.00 O ATOM 431 CB THR A 28 29.033 7.536 -18.022 1.00 1.00 C ATOM 432 OG1 THR A 28 30.073 6.618 -18.350 1.00 1.00 O ATOM 433 CG2 THR A 28 29.191 7.755 -16.516 1.00 1.00 C ATOM 0 H THR A 28 28.790 6.410 -20.147 1.00 1.00 H new ATOM 0 HA THR A 28 27.602 6.017 -17.614 1.00 1.00 H new ATOM 0 HB THR A 28 29.040 8.500 -18.531 1.00 1.00 H new ATOM 0 HG1 THR A 28 30.943 7.025 -18.154 1.00 1.00 H new ATOM 0 HG21 THR A 28 30.119 8.292 -16.322 1.00 1.00 H new ATOM 0 HG22 THR A 28 28.349 8.338 -16.143 1.00 1.00 H new ATOM 0 HG23 THR A 28 29.217 6.791 -16.009 1.00 1.00 H new ATOM 441 N ARG A 29 25.329 7.054 -18.109 1.00 1.00 N ATOM 442 CA ARG A 29 24.072 7.781 -18.058 1.00 1.00 C ATOM 443 C ARG A 29 23.562 7.809 -16.616 1.00 1.00 C ATOM 444 O ARG A 29 24.070 7.030 -15.796 1.00 1.00 O ATOM 445 CB ARG A 29 23.012 7.138 -18.955 1.00 1.00 C ATOM 446 CG ARG A 29 23.451 7.153 -20.420 1.00 1.00 C ATOM 447 CD ARG A 29 23.428 8.575 -20.985 1.00 1.00 C ATOM 448 NE ARG A 29 22.580 8.625 -22.197 1.00 1.00 N ATOM 449 CZ ARG A 29 23.010 8.301 -23.435 1.00 1.00 C ATOM 450 NH1 ARG A 29 24.280 7.906 -23.599 1.00 1.00 N ATOM 451 NH2 ARG A 29 22.179 8.372 -24.484 1.00 1.00 N ATOM 0 H ARG A 29 25.239 6.051 -17.950 1.00 1.00 H new ATOM 0 HA ARG A 29 24.253 8.794 -18.419 1.00 1.00 H new ATOM 0 HB2 ARG A 29 22.834 6.111 -18.635 1.00 1.00 H new ATOM 0 HB3 ARG A 29 22.068 7.673 -18.849 1.00 1.00 H new ATOM 0 HG2 ARG A 29 24.456 6.740 -20.506 1.00 1.00 H new ATOM 0 HG3 ARG A 29 22.792 6.514 -21.007 1.00 1.00 H new ATOM 0 HD2 ARG A 29 23.045 9.267 -20.235 1.00 1.00 H new ATOM 0 HD3 ARG A 29 24.441 8.895 -21.227 1.00 1.00 H new ATOM 0 HE ARG A 29 21.610 8.923 -22.090 1.00 1.00 H new ATOM 0 HH11 ARG A 29 24.906 7.854 -22.795 1.00 1.00 H new ATOM 0 HH12 ARG A 29 24.621 7.658 -24.528 1.00 1.00 H new ATOM 0 HH21 ARG A 29 21.214 8.673 -24.350 1.00 1.00 H new ATOM 0 HH22 ARG A 29 22.512 8.125 -25.416 1.00 1.00 H new ATOM 465 N TYR A 30 22.584 8.690 -16.340 1.00 1.00 N ATOM 466 CA TYR A 30 22.059 8.768 -14.988 1.00 1.00 C ATOM 467 C TYR A 30 20.565 8.438 -15.005 1.00 1.00 C ATOM 468 O TYR A 30 19.964 8.514 -16.087 1.00 1.00 O ATOM 469 CB TYR A 30 22.330 10.167 -14.403 1.00 1.00 C ATOM 470 CG TYR A 30 23.805 10.509 -14.243 1.00 1.00 C ATOM 471 CD1 TYR A 30 24.606 10.772 -15.378 1.00 1.00 C ATOM 472 CD2 TYR A 30 24.383 10.559 -12.954 1.00 1.00 C ATOM 473 CE1 TYR A 30 25.973 11.086 -15.224 1.00 1.00 C ATOM 474 CE2 TYR A 30 25.750 10.873 -12.800 1.00 1.00 C ATOM 475 CZ TYR A 30 26.546 11.137 -13.935 1.00 1.00 C ATOM 476 OH TYR A 30 27.869 11.441 -13.782 1.00 1.00 O ATOM 0 H TYR A 30 22.162 9.330 -17.013 1.00 1.00 H new ATOM 0 HA TYR A 30 22.559 8.041 -14.348 1.00 1.00 H new ATOM 0 HB2 TYR A 30 21.865 10.913 -15.047 1.00 1.00 H new ATOM 0 HB3 TYR A 30 21.845 10.240 -13.429 1.00 1.00 H new ATOM 0 HD1 TYR A 30 24.170 10.732 -16.365 1.00 1.00 H new ATOM 0 HD2 TYR A 30 23.776 10.356 -12.084 1.00 1.00 H new ATOM 0 HE1 TYR A 30 26.581 11.288 -16.093 1.00 1.00 H new ATOM 0 HE2 TYR A 30 26.187 10.911 -11.813 1.00 1.00 H new ATOM 0 HH TYR A 30 28.046 11.668 -12.845 1.00 1.00 H new ATOM 486 N PHE A 31 20.006 8.076 -13.836 1.00 1.00 N ATOM 487 CA PHE A 31 18.600 7.729 -13.730 1.00 1.00 C ATOM 488 C PHE A 31 18.121 7.988 -12.300 1.00 1.00 C ATOM 489 O PHE A 31 18.933 7.851 -11.373 1.00 1.00 O ATOM 490 CB PHE A 31 18.413 6.247 -14.109 1.00 1.00 C ATOM 491 CG PHE A 31 18.794 5.259 -13.015 1.00 1.00 C ATOM 492 CD1 PHE A 31 20.156 5.010 -12.729 1.00 1.00 C ATOM 493 CD2 PHE A 31 17.791 4.589 -12.275 1.00 1.00 C ATOM 494 CE1 PHE A 31 20.513 4.097 -11.713 1.00 1.00 C ATOM 495 CE2 PHE A 31 18.149 3.677 -11.259 1.00 1.00 C ATOM 496 CZ PHE A 31 19.509 3.431 -10.978 1.00 1.00 C ATOM 0 H PHE A 31 20.519 8.020 -12.956 1.00 1.00 H new ATOM 0 HA PHE A 31 18.009 8.341 -14.411 1.00 1.00 H new ATOM 0 HB2 PHE A 31 17.370 6.084 -14.380 1.00 1.00 H new ATOM 0 HB3 PHE A 31 19.010 6.034 -14.996 1.00 1.00 H new ATOM 0 HD1 PHE A 31 20.926 5.520 -13.289 1.00 1.00 H new ATOM 0 HD2 PHE A 31 16.749 4.776 -12.488 1.00 1.00 H new ATOM 0 HE1 PHE A 31 21.554 3.908 -11.498 1.00 1.00 H new ATOM 0 HE2 PHE A 31 17.381 3.167 -10.696 1.00 1.00 H new ATOM 0 HZ PHE A 31 19.782 2.733 -10.200 1.00 1.00 H new ATOM 506 N TYR A 32 16.835 8.350 -12.151 1.00 1.00 N ATOM 507 CA TYR A 32 16.320 8.615 -10.819 1.00 1.00 C ATOM 508 C TYR A 32 15.974 7.289 -10.137 1.00 1.00 C ATOM 509 O TYR A 32 14.995 6.656 -10.558 1.00 1.00 O ATOM 510 CB TYR A 32 15.099 9.549 -10.907 1.00 1.00 C ATOM 511 CG TYR A 32 14.717 10.215 -9.592 1.00 1.00 C ATOM 512 CD1 TYR A 32 15.276 11.463 -9.233 1.00 1.00 C ATOM 513 CD2 TYR A 32 13.802 9.582 -8.719 1.00 1.00 C ATOM 514 CE1 TYR A 32 14.921 12.074 -8.011 1.00 1.00 C ATOM 515 CE2 TYR A 32 13.446 10.193 -7.498 1.00 1.00 C ATOM 516 CZ TYR A 32 14.005 11.440 -7.143 1.00 1.00 C ATOM 517 OH TYR A 32 13.658 12.029 -5.961 1.00 1.00 O ATOM 0 H TYR A 32 16.164 8.460 -12.911 1.00 1.00 H new ATOM 0 HA TYR A 32 17.077 9.118 -10.217 1.00 1.00 H new ATOM 0 HB2 TYR A 32 15.303 10.324 -11.646 1.00 1.00 H new ATOM 0 HB3 TYR A 32 14.246 8.977 -11.271 1.00 1.00 H new ATOM 0 HD1 TYR A 32 15.976 11.950 -9.895 1.00 1.00 H new ATOM 0 HD2 TYR A 32 13.374 8.627 -8.988 1.00 1.00 H new ATOM 0 HE1 TYR A 32 15.350 13.027 -7.740 1.00 1.00 H new ATOM 0 HE2 TYR A 32 12.746 9.707 -6.835 1.00 1.00 H new ATOM 0 HH TYR A 32 14.396 11.940 -5.322 1.00 1.00 H new ATOM 527 N ASN A 33 16.771 6.897 -9.127 1.00 1.00 N ATOM 528 CA ASN A 33 16.550 5.652 -8.411 1.00 1.00 C ATOM 529 C ASN A 33 15.755 5.936 -7.135 1.00 1.00 C ATOM 530 O ASN A 33 16.221 6.743 -6.317 1.00 1.00 O ATOM 531 CB ASN A 33 17.877 5.006 -8.007 1.00 1.00 C ATOM 532 CG ASN A 33 17.649 3.621 -7.397 1.00 1.00 C ATOM 533 OD1 ASN A 33 16.538 3.125 -7.318 1.00 1.00 O ATOM 534 ND2 ASN A 33 18.761 3.028 -6.973 1.00 1.00 N ATOM 0 H ASN A 33 17.573 7.434 -8.796 1.00 1.00 H new ATOM 0 HA ASN A 33 16.006 4.976 -9.071 1.00 1.00 H new ATOM 0 HB2 ASN A 33 18.525 4.921 -8.880 1.00 1.00 H new ATOM 0 HB3 ASN A 33 18.392 5.644 -7.288 1.00 1.00 H new ATOM 0 HD21 ASN A 33 18.715 2.101 -6.551 1.00 1.00 H new ATOM 0 HD22 ASN A 33 19.660 3.501 -7.070 1.00 1.00 H new ATOM 541 N ASN A 34 14.590 5.280 -6.993 1.00 1.00 N ATOM 542 CA ASN A 34 13.741 5.461 -5.827 1.00 1.00 C ATOM 543 C ASN A 34 14.450 4.899 -4.594 1.00 1.00 C ATOM 544 O ASN A 34 14.142 5.350 -3.480 1.00 1.00 O ATOM 545 CB ASN A 34 12.414 4.717 -5.991 1.00 1.00 C ATOM 546 CG ASN A 34 11.675 4.614 -4.655 1.00 1.00 C ATOM 547 OD1 ASN A 34 11.592 3.563 -4.042 1.00 1.00 O ATOM 548 ND2 ASN A 34 11.144 5.761 -4.241 1.00 1.00 N ATOM 0 H ASN A 34 14.224 4.620 -7.679 1.00 1.00 H new ATOM 0 HA ASN A 34 13.544 6.527 -5.715 1.00 1.00 H new ATOM 0 HB2 ASN A 34 11.789 5.236 -6.717 1.00 1.00 H new ATOM 0 HB3 ASN A 34 12.599 3.718 -6.386 1.00 1.00 H new ATOM 0 HD21 ASN A 34 10.630 5.797 -3.361 1.00 1.00 H new ATOM 0 HD22 ASN A 34 11.251 6.605 -4.804 1.00 1.00 H new ATOM 555 N GLN A 35 15.369 3.942 -4.811 1.00 1.00 N ATOM 556 CA GLN A 35 16.112 3.327 -3.724 1.00 1.00 C ATOM 557 C GLN A 35 16.730 4.421 -2.851 1.00 1.00 C ATOM 558 O GLN A 35 16.822 4.220 -1.631 1.00 1.00 O ATOM 559 CB GLN A 35 17.187 2.372 -4.248 1.00 1.00 C ATOM 560 CG GLN A 35 17.360 1.174 -3.312 1.00 1.00 C ATOM 561 CD GLN A 35 17.637 -0.105 -4.104 1.00 1.00 C ATOM 562 OE1 GLN A 35 18.739 -0.354 -4.564 1.00 1.00 O ATOM 563 NE2 GLN A 35 16.579 -0.899 -4.237 1.00 1.00 N ATOM 0 H GLN A 35 15.607 3.584 -5.736 1.00 1.00 H new ATOM 0 HA GLN A 35 15.424 2.732 -3.123 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.914 2.023 -5.244 1.00 1.00 H new ATOM 0 HB3 GLN A 35 18.134 2.903 -4.344 1.00 1.00 H new ATOM 0 HG2 GLN A 35 18.182 1.363 -2.621 1.00 1.00 H new ATOM 0 HG3 GLN A 35 16.461 1.046 -2.710 1.00 1.00 H new ATOM 0 HE21 GLN A 35 15.685 -0.630 -3.827 1.00 1.00 H new ATOM 0 HE22 GLN A 35 16.662 -1.777 -4.749 1.00 1.00 H new ATOM 572 N THR A 36 17.133 5.539 -3.481 1.00 1.00 N ATOM 573 CA THR A 36 17.735 6.651 -2.766 1.00 1.00 C ATOM 574 C THR A 36 16.979 7.938 -3.103 1.00 1.00 C ATOM 575 O THR A 36 17.484 9.021 -2.776 1.00 1.00 O ATOM 576 CB THR A 36 19.223 6.711 -3.118 1.00 1.00 C ATOM 577 OG1 THR A 36 19.242 7.159 -4.471 1.00 1.00 O ATOM 578 CG2 THR A 36 19.867 5.325 -3.176 1.00 1.00 C ATOM 0 H THR A 36 17.047 5.685 -4.487 1.00 1.00 H new ATOM 0 HA THR A 36 17.662 6.520 -1.686 1.00 1.00 H new ATOM 0 HB THR A 36 19.745 7.324 -2.383 1.00 1.00 H new ATOM 0 HG1 THR A 36 19.865 7.911 -4.558 1.00 1.00 H new ATOM 0 HG21 THR A 36 20.922 5.425 -3.430 1.00 1.00 H new ATOM 0 HG22 THR A 36 19.771 4.838 -2.205 1.00 1.00 H new ATOM 0 HG23 THR A 36 19.367 4.723 -3.935 1.00 1.00 H new ATOM 586 N LYS A 37 15.802 7.795 -3.739 1.00 1.00 N ATOM 587 CA LYS A 37 14.987 8.938 -4.115 1.00 1.00 C ATOM 588 C LYS A 37 15.889 10.040 -4.674 1.00 1.00 C ATOM 589 O LYS A 37 15.742 11.195 -4.248 1.00 1.00 O ATOM 590 CB LYS A 37 14.122 9.389 -2.937 1.00 1.00 C ATOM 591 CG LYS A 37 12.851 8.544 -2.833 1.00 1.00 C ATOM 592 CD LYS A 37 12.757 7.859 -1.469 1.00 1.00 C ATOM 593 CE LYS A 37 14.080 7.184 -1.102 1.00 1.00 C ATOM 594 NZ LYS A 37 13.837 5.972 -0.303 1.00 1.00 N ATOM 0 H LYS A 37 15.404 6.893 -3.999 1.00 1.00 H new ATOM 0 HA LYS A 37 14.289 8.665 -4.907 1.00 1.00 H new ATOM 0 HB2 LYS A 37 14.692 9.309 -2.011 1.00 1.00 H new ATOM 0 HB3 LYS A 37 13.856 10.439 -3.058 1.00 1.00 H new ATOM 0 HG2 LYS A 37 11.976 9.176 -2.987 1.00 1.00 H new ATOM 0 HG3 LYS A 37 12.844 7.792 -3.622 1.00 1.00 H new ATOM 0 HD2 LYS A 37 12.495 8.593 -0.707 1.00 1.00 H new ATOM 0 HD3 LYS A 37 11.958 7.117 -1.485 1.00 1.00 H new ATOM 0 HE2 LYS A 37 14.627 6.925 -2.009 1.00 1.00 H new ATOM 0 HE3 LYS A 37 14.705 7.878 -0.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 14.746 5.527 -0.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 13.335 6.227 0.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 13.259 5.304 -0.852 1.00 1.00 H new ATOM 608 N GLN A 38 16.789 9.669 -5.602 1.00 1.00 N ATOM 609 CA GLN A 38 17.703 10.620 -6.212 1.00 1.00 C ATOM 610 C GLN A 38 18.125 10.104 -7.589 1.00 1.00 C ATOM 611 O GLN A 38 17.414 9.253 -8.143 1.00 1.00 O ATOM 612 CB GLN A 38 18.923 10.874 -5.324 1.00 1.00 C ATOM 613 CG GLN A 38 19.238 12.368 -5.239 1.00 1.00 C ATOM 614 CD GLN A 38 20.013 12.694 -3.960 1.00 1.00 C ATOM 615 OE1 GLN A 38 19.608 13.511 -3.149 1.00 1.00 O ATOM 616 NE2 GLN A 38 21.146 12.011 -3.826 1.00 1.00 N ATOM 0 H GLN A 38 16.894 8.712 -5.939 1.00 1.00 H new ATOM 0 HA GLN A 38 17.190 11.575 -6.328 1.00 1.00 H new ATOM 0 HB2 GLN A 38 18.738 10.480 -4.325 1.00 1.00 H new ATOM 0 HB3 GLN A 38 19.785 10.339 -5.723 1.00 1.00 H new ATOM 0 HG2 GLN A 38 19.821 12.670 -6.109 1.00 1.00 H new ATOM 0 HG3 GLN A 38 18.311 12.941 -5.262 1.00 1.00 H new ATOM 0 HE21 GLN A 38 21.426 11.342 -4.543 1.00 1.00 H new ATOM 0 HE22 GLN A 38 21.735 12.156 -3.006 1.00 1.00 H new ATOM 625 N CYS A 39 19.255 10.621 -8.105 1.00 1.00 N ATOM 626 CA CYS A 39 19.763 10.215 -9.405 1.00 1.00 C ATOM 627 C CYS A 39 21.042 9.398 -9.214 1.00 1.00 C ATOM 628 O CYS A 39 21.985 9.913 -8.596 1.00 1.00 O ATOM 629 CB CYS A 39 19.989 11.426 -10.311 1.00 1.00 C ATOM 630 SG CYS A 39 18.473 12.277 -10.839 1.00 1.00 S ATOM 0 H CYS A 39 19.826 11.321 -7.632 1.00 1.00 H new ATOM 0 HA CYS A 39 19.023 9.588 -9.903 1.00 1.00 H new ATOM 0 HB2 CYS A 39 20.626 12.139 -9.788 1.00 1.00 H new ATOM 0 HB3 CYS A 39 20.534 11.102 -11.197 1.00 1.00 H new ATOM 0 HG CYS A 39 17.937 11.633 -11.833 1.00 1.00 H new ATOM 636 N GLU A 40 21.050 8.160 -9.740 1.00 1.00 N ATOM 637 CA GLU A 40 22.203 7.283 -9.629 1.00 1.00 C ATOM 638 C GLU A 40 22.758 6.997 -11.026 1.00 1.00 C ATOM 639 O GLU A 40 21.962 6.923 -11.972 1.00 1.00 O ATOM 640 CB GLU A 40 21.853 5.983 -8.901 1.00 1.00 C ATOM 641 CG GLU A 40 21.973 6.154 -7.385 1.00 1.00 C ATOM 642 CD GLU A 40 20.592 6.215 -6.730 1.00 1.00 C ATOM 643 OE1 GLU A 40 19.938 7.269 -6.758 1.00 1.00 O ATOM 644 OE2 GLU A 40 20.201 5.117 -6.177 1.00 1.00 O ATOM 0 H GLU A 40 20.263 7.754 -10.246 1.00 1.00 H new ATOM 0 HA GLU A 40 22.967 7.784 -9.034 1.00 1.00 H new ATOM 0 HB2 GLU A 40 20.838 5.681 -9.157 1.00 1.00 H new ATOM 0 HB3 GLU A 40 22.517 5.185 -9.234 1.00 1.00 H new ATOM 0 HG2 GLU A 40 22.542 5.324 -6.966 1.00 1.00 H new ATOM 0 HG3 GLU A 40 22.527 7.066 -7.161 1.00 1.00 H new ATOM 651 N ARG A 41 24.091 6.845 -11.125 1.00 1.00 N ATOM 652 CA ARG A 41 24.742 6.570 -12.394 1.00 1.00 C ATOM 653 C ARG A 41 24.442 5.130 -12.815 1.00 1.00 C ATOM 654 O ARG A 41 24.281 4.278 -11.929 1.00 1.00 O ATOM 655 CB ARG A 41 26.257 6.762 -12.304 1.00 1.00 C ATOM 656 CG ARG A 41 26.699 8.005 -13.079 1.00 1.00 C ATOM 657 CD ARG A 41 27.909 8.665 -12.413 1.00 1.00 C ATOM 658 NE ARG A 41 29.043 8.718 -13.363 1.00 1.00 N ATOM 659 CZ ARG A 41 30.112 9.529 -13.220 1.00 1.00 C ATOM 660 NH1 ARG A 41 30.171 10.346 -12.160 1.00 1.00 N ATOM 661 NH2 ARG A 41 31.100 9.518 -14.126 1.00 1.00 N ATOM 0 H ARG A 41 24.729 6.910 -10.332 1.00 1.00 H new ATOM 0 HA ARG A 41 24.354 7.273 -13.131 1.00 1.00 H new ATOM 0 HB2 ARG A 41 26.554 6.856 -11.259 1.00 1.00 H new ATOM 0 HB3 ARG A 41 26.763 5.882 -12.702 1.00 1.00 H new ATOM 0 HG2 ARG A 41 26.949 7.729 -14.104 1.00 1.00 H new ATOM 0 HG3 ARG A 41 25.875 8.717 -13.132 1.00 1.00 H new ATOM 0 HD2 ARG A 41 27.650 9.672 -12.086 1.00 1.00 H new ATOM 0 HD3 ARG A 41 28.195 8.105 -11.523 1.00 1.00 H new ATOM 0 HE ARG A 41 29.015 8.103 -14.176 1.00 1.00 H new ATOM 0 HH11 ARG A 41 29.415 10.349 -11.476 1.00 1.00 H new ATOM 0 HH12 ARG A 41 30.972 10.965 -12.037 1.00 1.00 H new ATOM 0 HH21 ARG A 41 31.047 8.894 -14.931 1.00 1.00 H new ATOM 0 HH22 ARG A 41 31.905 10.134 -14.011 1.00 1.00 H new ATOM 675 N PHE A 42 24.374 4.890 -14.137 1.00 1.00 N ATOM 676 CA PHE A 42 24.096 3.566 -14.666 1.00 1.00 C ATOM 677 C PHE A 42 24.400 3.546 -16.165 1.00 1.00 C ATOM 678 O PHE A 42 24.451 4.627 -16.771 1.00 1.00 O ATOM 679 CB PHE A 42 22.618 3.214 -14.403 1.00 1.00 C ATOM 680 CG PHE A 42 21.654 3.666 -15.493 1.00 1.00 C ATOM 681 CD1 PHE A 42 21.417 5.044 -15.701 1.00 1.00 C ATOM 682 CD2 PHE A 42 20.997 2.713 -16.305 1.00 1.00 C ATOM 683 CE1 PHE A 42 20.528 5.466 -16.713 1.00 1.00 C ATOM 684 CE2 PHE A 42 20.108 3.135 -17.316 1.00 1.00 C ATOM 685 CZ PHE A 42 19.873 4.512 -17.520 1.00 1.00 C ATOM 0 H PHE A 42 24.510 5.606 -14.851 1.00 1.00 H new ATOM 0 HA PHE A 42 24.725 2.825 -14.173 1.00 1.00 H new ATOM 0 HB2 PHE A 42 22.531 2.134 -14.285 1.00 1.00 H new ATOM 0 HB3 PHE A 42 22.314 3.664 -13.458 1.00 1.00 H new ATOM 0 HD1 PHE A 42 21.917 5.776 -15.084 1.00 1.00 H new ATOM 0 HD2 PHE A 42 21.176 1.659 -16.151 1.00 1.00 H new ATOM 0 HE1 PHE A 42 20.349 6.520 -16.870 1.00 1.00 H new ATOM 0 HE2 PHE A 42 19.607 2.404 -17.934 1.00 1.00 H new ATOM 0 HZ PHE A 42 19.192 4.835 -18.294 1.00 1.00 H new ATOM 695 N LYS A 43 24.593 2.339 -16.725 1.00 1.00 N ATOM 696 CA LYS A 43 24.889 2.184 -18.139 1.00 1.00 C ATOM 697 C LYS A 43 23.614 2.418 -18.952 1.00 1.00 C ATOM 698 O LYS A 43 22.571 2.700 -18.344 1.00 1.00 O ATOM 699 CB LYS A 43 25.545 0.827 -18.403 1.00 1.00 C ATOM 700 CG LYS A 43 27.061 0.971 -18.550 1.00 1.00 C ATOM 701 CD LYS A 43 27.743 1.022 -17.180 1.00 1.00 C ATOM 702 CE LYS A 43 27.793 -0.367 -16.541 1.00 1.00 C ATOM 703 NZ LYS A 43 28.536 -0.323 -15.271 1.00 1.00 N ATOM 0 H LYS A 43 24.547 1.461 -16.208 1.00 1.00 H new ATOM 0 HA LYS A 43 25.614 2.932 -18.460 1.00 1.00 H new ATOM 0 HB2 LYS A 43 25.319 0.144 -17.584 1.00 1.00 H new ATOM 0 HB3 LYS A 43 25.128 0.388 -19.309 1.00 1.00 H new ATOM 0 HG2 LYS A 43 27.455 0.133 -19.125 1.00 1.00 H new ATOM 0 HG3 LYS A 43 27.291 1.878 -19.109 1.00 1.00 H new ATOM 0 HD2 LYS A 43 28.755 1.413 -17.288 1.00 1.00 H new ATOM 0 HD3 LYS A 43 27.204 1.708 -16.527 1.00 1.00 H new ATOM 0 HE2 LYS A 43 26.780 -0.729 -16.364 1.00 1.00 H new ATOM 0 HE3 LYS A 43 28.269 -1.071 -17.224 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 28.561 -1.274 -14.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 29.508 0.002 -15.448 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 28.065 0.333 -14.616 1.00 1.00 H new ATOM 717 N TYR A 44 23.721 2.300 -20.287 1.00 1.00 N ATOM 718 CA TYR A 44 22.547 2.515 -21.116 1.00 1.00 C ATOM 719 C TYR A 44 22.767 1.863 -22.483 1.00 1.00 C ATOM 720 O TYR A 44 23.521 2.433 -23.285 1.00 1.00 O ATOM 721 CB TYR A 44 22.264 4.023 -21.239 1.00 1.00 C ATOM 722 CG TYR A 44 21.120 4.377 -22.179 1.00 1.00 C ATOM 723 CD1 TYR A 44 20.042 3.477 -22.350 1.00 1.00 C ATOM 724 CD2 TYR A 44 21.123 5.605 -22.880 1.00 1.00 C ATOM 725 CE1 TYR A 44 18.978 3.802 -23.218 1.00 1.00 C ATOM 726 CE2 TYR A 44 20.058 5.929 -23.747 1.00 1.00 C ATOM 727 CZ TYR A 44 18.985 5.027 -23.918 1.00 1.00 C ATOM 728 OH TYR A 44 17.953 5.337 -24.758 1.00 1.00 O ATOM 0 H TYR A 44 24.577 2.066 -20.789 1.00 1.00 H new ATOM 0 HA TYR A 44 21.673 2.053 -20.657 1.00 1.00 H new ATOM 0 HB2 TYR A 44 22.039 4.419 -20.249 1.00 1.00 H new ATOM 0 HB3 TYR A 44 23.169 4.522 -21.585 1.00 1.00 H new ATOM 0 HD1 TYR A 44 20.033 2.539 -21.815 1.00 1.00 H new ATOM 0 HD2 TYR A 44 21.942 6.297 -22.751 1.00 1.00 H new ATOM 0 HE1 TYR A 44 18.157 3.112 -23.347 1.00 1.00 H new ATOM 0 HE2 TYR A 44 20.063 6.868 -24.281 1.00 1.00 H new ATOM 0 HH TYR A 44 18.112 6.216 -25.160 1.00 1.00 H new ATOM 789 N ASN A 50 14.712 1.708 -21.354 1.00 1.00 N ATOM 790 CA ASN A 50 13.444 2.276 -20.931 1.00 1.00 C ATOM 791 C ASN A 50 13.532 3.803 -20.979 1.00 1.00 C ATOM 792 O ASN A 50 14.384 4.321 -21.716 1.00 1.00 O ATOM 793 CB ASN A 50 13.110 1.868 -19.494 1.00 1.00 C ATOM 794 CG ASN A 50 13.941 2.668 -18.489 1.00 1.00 C ATOM 795 OD1 ASN A 50 14.905 3.334 -18.832 1.00 1.00 O ATOM 796 ND2 ASN A 50 13.517 2.566 -17.233 1.00 1.00 N ATOM 0 HA ASN A 50 12.669 1.906 -21.602 1.00 1.00 H new ATOM 0 HB2 ASN A 50 12.049 2.029 -19.304 1.00 1.00 H new ATOM 0 HB3 ASN A 50 13.299 0.803 -19.361 1.00 1.00 H new ATOM 0 HD21 ASN A 50 14.006 3.062 -16.488 1.00 1.00 H new ATOM 0 HD22 ASN A 50 12.703 1.991 -17.015 1.00 1.00 H new ATOM 803 N MET A 51 12.665 4.481 -20.207 1.00 1.00 N ATOM 804 CA MET A 51 12.645 5.933 -20.163 1.00 1.00 C ATOM 805 C MET A 51 13.788 6.428 -19.275 1.00 1.00 C ATOM 806 O MET A 51 14.806 6.879 -19.820 1.00 1.00 O ATOM 807 CB MET A 51 11.311 6.431 -19.603 1.00 1.00 C ATOM 808 CG MET A 51 10.177 6.204 -20.605 1.00 1.00 C ATOM 809 SD MET A 51 8.701 5.586 -19.744 1.00 1.00 S ATOM 810 CE MET A 51 8.745 3.843 -20.252 1.00 1.00 C ATOM 0 H MET A 51 11.971 4.035 -19.607 1.00 1.00 H new ATOM 0 HA MET A 51 12.767 6.320 -21.175 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.087 5.912 -18.671 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.385 7.492 -19.367 1.00 1.00 H new ATOM 0 HG2 MET A 51 9.944 7.136 -21.120 1.00 1.00 H new ATOM 0 HG3 MET A 51 10.490 5.489 -21.366 1.00 1.00 H new ATOM 0 HE1 MET A 51 7.902 3.313 -19.809 1.00 1.00 H new ATOM 0 HE2 MET A 51 8.683 3.779 -21.338 1.00 1.00 H new ATOM 0 HE3 MET A 51 9.677 3.389 -19.914 1.00 1.00 H new ATOM 820 N ASN A 52 13.602 6.335 -17.946 1.00 1.00 N ATOM 821 CA ASN A 52 14.610 6.770 -16.995 1.00 1.00 C ATOM 822 C ASN A 52 16.001 6.516 -17.579 1.00 1.00 C ATOM 823 O ASN A 52 16.500 5.389 -17.444 1.00 1.00 O ATOM 824 CB ASN A 52 14.500 5.993 -15.681 1.00 1.00 C ATOM 825 CG ASN A 52 15.104 6.787 -14.522 1.00 1.00 C ATOM 826 OD1 ASN A 52 15.672 7.854 -14.695 1.00 1.00 O ATOM 827 ND2 ASN A 52 14.953 6.210 -13.333 1.00 1.00 N ATOM 0 H ASN A 52 12.756 5.960 -17.517 1.00 1.00 H new ATOM 0 HA ASN A 52 14.454 7.831 -16.801 1.00 1.00 H new ATOM 0 HB2 ASN A 52 13.453 5.775 -15.470 1.00 1.00 H new ATOM 0 HB3 ASN A 52 15.012 5.036 -15.777 1.00 1.00 H new ATOM 0 HD21 ASN A 52 15.323 6.661 -12.496 1.00 1.00 H new ATOM 0 HD22 ASN A 52 14.467 5.316 -13.258 1.00 1.00 H new ATOM 834 N ASN A 53 16.588 7.549 -18.208 1.00 1.00 N ATOM 835 CA ASN A 53 17.908 7.438 -18.806 1.00 1.00 C ATOM 836 C ASN A 53 18.420 8.834 -19.164 1.00 1.00 C ATOM 837 O ASN A 53 18.121 9.306 -20.271 1.00 1.00 O ATOM 838 CB ASN A 53 17.862 6.607 -20.090 1.00 1.00 C ATOM 839 CG ASN A 53 19.009 6.985 -21.029 1.00 1.00 C ATOM 840 OD1 ASN A 53 18.625 7.662 -22.107 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 20.167 6.683 -20.790 1.00 1.00 N flip ATOM 0 H ASN A 53 16.158 8.469 -18.310 1.00 1.00 H new ATOM 0 HA ASN A 53 18.565 6.952 -18.085 1.00 1.00 H new ATOM 0 HB2 ASN A 53 17.923 5.547 -19.844 1.00 1.00 H new ATOM 0 HB3 ASN A 53 16.908 6.763 -20.594 1.00 1.00 H new ATOM 0 HD21 ASN A 53 20.394 6.162 -19.943 1.00 1.00 H new ATOM 0 HD22 ASN A 53 20.908 6.952 -21.437 1.00 1.00 H new ATOM 848 N PHE A 54 19.170 9.457 -18.237 1.00 1.00 N ATOM 849 CA PHE A 54 19.717 10.785 -18.455 1.00 1.00 C ATOM 850 C PHE A 54 21.218 10.675 -18.728 1.00 1.00 C ATOM 851 O PHE A 54 21.767 9.574 -18.573 1.00 1.00 O ATOM 852 CB PHE A 54 19.450 11.654 -17.210 1.00 1.00 C ATOM 853 CG PHE A 54 17.982 11.772 -16.821 1.00 1.00 C ATOM 854 CD1 PHE A 54 17.183 12.797 -17.377 1.00 1.00 C ATOM 855 CD2 PHE A 54 17.409 10.856 -15.908 1.00 1.00 C ATOM 856 CE1 PHE A 54 15.821 12.907 -17.022 1.00 1.00 C ATOM 857 CE2 PHE A 54 16.047 10.967 -15.554 1.00 1.00 C ATOM 858 CZ PHE A 54 15.253 11.992 -16.110 1.00 1.00 C ATOM 0 H PHE A 54 19.405 9.051 -17.331 1.00 1.00 H new ATOM 0 HA PHE A 54 19.240 11.252 -19.317 1.00 1.00 H new ATOM 0 HB2 PHE A 54 20.003 11.238 -16.368 1.00 1.00 H new ATOM 0 HB3 PHE A 54 19.846 12.654 -17.389 1.00 1.00 H new ATOM 0 HD1 PHE A 54 17.616 13.498 -18.075 1.00 1.00 H new ATOM 0 HD2 PHE A 54 18.015 10.070 -15.481 1.00 1.00 H new ATOM 0 HE1 PHE A 54 15.214 13.692 -17.448 1.00 1.00 H new ATOM 0 HE2 PHE A 54 15.612 10.266 -14.857 1.00 1.00 H new ATOM 0 HZ PHE A 54 14.211 12.076 -15.838 1.00 1.00 H new ATOM 868 N GLU A 55 21.842 11.799 -19.123 1.00 1.00 N ATOM 869 CA GLU A 55 23.266 11.828 -19.414 1.00 1.00 C ATOM 870 C GLU A 55 24.002 12.529 -18.270 1.00 1.00 C ATOM 871 O GLU A 55 25.130 12.121 -17.958 1.00 1.00 O ATOM 872 CB GLU A 55 23.552 12.514 -20.751 1.00 1.00 C ATOM 873 CG GLU A 55 22.639 11.971 -21.853 1.00 1.00 C ATOM 874 CD GLU A 55 23.058 12.503 -23.224 1.00 1.00 C ATOM 875 OE1 GLU A 55 22.993 13.785 -23.355 1.00 1.00 O ATOM 876 OE2 GLU A 55 23.424 11.716 -24.110 1.00 1.00 O ATOM 0 H GLU A 55 21.371 12.696 -19.245 1.00 1.00 H new ATOM 0 HA GLU A 55 23.626 10.803 -19.499 1.00 1.00 H new ATOM 0 HB2 GLU A 55 23.406 13.590 -20.650 1.00 1.00 H new ATOM 0 HB3 GLU A 55 24.595 12.358 -21.028 1.00 1.00 H new ATOM 0 HG2 GLU A 55 22.674 10.882 -21.855 1.00 1.00 H new ATOM 0 HG3 GLU A 55 21.607 12.256 -21.648 1.00 1.00 H new ATOM 883 N THR A 56 23.360 13.552 -17.678 1.00 1.00 N ATOM 884 CA THR A 56 23.950 14.299 -16.580 1.00 1.00 C ATOM 885 C THR A 56 23.073 14.147 -15.336 1.00 1.00 C ATOM 886 O THR A 56 21.858 13.957 -15.491 1.00 1.00 O ATOM 887 CB THR A 56 24.133 15.752 -17.021 1.00 1.00 C ATOM 888 OG1 THR A 56 23.068 15.972 -17.942 1.00 1.00 O ATOM 889 CG2 THR A 56 25.398 15.956 -17.858 1.00 1.00 C ATOM 0 H THR A 56 22.431 13.872 -17.951 1.00 1.00 H new ATOM 0 HA THR A 56 24.935 13.913 -16.316 1.00 1.00 H new ATOM 0 HB THR A 56 24.172 16.395 -16.142 1.00 1.00 H new ATOM 0 HG1 THR A 56 23.110 16.892 -18.277 1.00 1.00 H new ATOM 0 HG21 THR A 56 25.479 17.004 -18.145 1.00 1.00 H new ATOM 0 HG22 THR A 56 26.272 15.671 -17.272 1.00 1.00 H new ATOM 0 HG23 THR A 56 25.345 15.338 -18.754 1.00 1.00 H new ATOM 897 N LEU A 57 23.695 14.232 -14.146 1.00 1.00 N ATOM 898 CA LEU A 57 22.976 14.105 -12.890 1.00 1.00 C ATOM 899 C LEU A 57 21.959 15.242 -12.772 1.00 1.00 C ATOM 900 O LEU A 57 20.782 14.956 -12.509 1.00 1.00 O ATOM 901 CB LEU A 57 23.955 14.031 -11.717 1.00 1.00 C ATOM 902 CG LEU A 57 23.363 13.595 -10.375 1.00 1.00 C ATOM 903 CD1 LEU A 57 23.105 12.087 -10.355 1.00 1.00 C ATOM 904 CD2 LEU A 57 24.253 14.040 -9.213 1.00 1.00 C ATOM 0 H LEU A 57 24.697 14.389 -14.040 1.00 1.00 H new ATOM 0 HA LEU A 57 22.415 13.171 -12.865 1.00 1.00 H new ATOM 0 HB2 LEU A 57 24.755 13.339 -11.980 1.00 1.00 H new ATOM 0 HB3 LEU A 57 24.412 15.012 -11.588 1.00 1.00 H new ATOM 0 HG LEU A 57 22.399 14.089 -10.249 1.00 1.00 H new ATOM 0 HD11 LEU A 57 22.684 11.803 -9.390 1.00 1.00 H new ATOM 0 HD12 LEU A 57 22.403 11.827 -11.148 1.00 1.00 H new ATOM 0 HD13 LEU A 57 24.043 11.555 -10.513 1.00 1.00 H new ATOM 0 HD21 LEU A 57 23.810 13.718 -8.271 1.00 1.00 H new ATOM 0 HD22 LEU A 57 25.242 13.594 -9.320 1.00 1.00 H new ATOM 0 HD23 LEU A 57 24.343 15.126 -9.219 1.00 1.00 H new ATOM 916 N GLU A 58 22.425 16.489 -12.967 1.00 1.00 N ATOM 917 CA GLU A 58 21.563 17.655 -12.883 1.00 1.00 C ATOM 918 C GLU A 58 20.357 17.459 -13.804 1.00 1.00 C ATOM 919 O GLU A 58 19.225 17.681 -13.349 1.00 1.00 O ATOM 920 CB GLU A 58 22.317 18.939 -13.233 1.00 1.00 C ATOM 921 CG GLU A 58 21.830 20.112 -12.381 1.00 1.00 C ATOM 922 CD GLU A 58 22.565 21.402 -12.751 1.00 1.00 C ATOM 923 OE1 GLU A 58 22.359 21.939 -13.849 1.00 1.00 O ATOM 924 OE2 GLU A 58 23.375 21.845 -11.850 1.00 1.00 O ATOM 0 H GLU A 58 23.398 16.703 -13.184 1.00 1.00 H new ATOM 0 HA GLU A 58 21.218 17.761 -11.855 1.00 1.00 H new ATOM 0 HB2 GLU A 58 23.386 18.791 -13.077 1.00 1.00 H new ATOM 0 HB3 GLU A 58 22.178 19.170 -14.289 1.00 1.00 H new ATOM 0 HG2 GLU A 58 20.758 20.247 -12.522 1.00 1.00 H new ATOM 0 HG3 GLU A 58 21.988 19.889 -11.326 1.00 1.00 H new ATOM 931 N GLU A 59 20.617 17.054 -15.060 1.00 1.00 N ATOM 932 CA GLU A 59 19.560 16.832 -16.032 1.00 1.00 C ATOM 933 C GLU A 59 18.524 15.873 -15.442 1.00 1.00 C ATOM 934 O GLU A 59 17.329 16.201 -15.481 1.00 1.00 O ATOM 935 CB GLU A 59 20.115 16.294 -17.352 1.00 1.00 C ATOM 936 CG GLU A 59 19.164 16.597 -18.511 1.00 1.00 C ATOM 937 CD GLU A 59 17.778 16.990 -17.995 1.00 1.00 C ATOM 938 OE1 GLU A 59 17.519 18.179 -17.759 1.00 1.00 O ATOM 939 OE2 GLU A 59 16.956 16.008 -17.841 1.00 1.00 O ATOM 0 H GLU A 59 21.557 16.877 -15.415 1.00 1.00 H new ATOM 0 HA GLU A 59 19.082 17.786 -16.253 1.00 1.00 H new ATOM 0 HB2 GLU A 59 21.089 16.741 -17.550 1.00 1.00 H new ATOM 0 HB3 GLU A 59 20.268 15.218 -17.274 1.00 1.00 H new ATOM 0 HG2 GLU A 59 19.572 17.404 -19.119 1.00 1.00 H new ATOM 0 HG3 GLU A 59 19.081 15.722 -19.156 1.00 1.00 H new ATOM 946 N CYS A 60 18.993 14.728 -14.915 1.00 1.00 N ATOM 947 CA CYS A 60 18.113 13.735 -14.324 1.00 1.00 C ATOM 948 C CYS A 60 17.353 14.365 -13.155 1.00 1.00 C ATOM 949 O CYS A 60 16.244 13.900 -12.854 1.00 1.00 O ATOM 950 CB CYS A 60 18.894 12.492 -13.893 1.00 1.00 C ATOM 951 SG CYS A 60 17.942 11.297 -12.909 1.00 1.00 S ATOM 0 H CYS A 60 19.982 14.478 -14.892 1.00 1.00 H new ATOM 0 HA CYS A 60 17.390 13.405 -15.070 1.00 1.00 H new ATOM 0 HB2 CYS A 60 19.270 11.990 -14.784 1.00 1.00 H new ATOM 0 HB3 CYS A 60 19.762 12.808 -13.315 1.00 1.00 H new ATOM 0 HG CYS A 60 17.960 11.652 -11.659 1.00 1.00 H new ATOM 957 N LYS A 61 17.954 15.393 -12.530 1.00 1.00 N ATOM 958 CA LYS A 61 17.337 16.077 -11.406 1.00 1.00 C ATOM 959 C LYS A 61 16.275 17.048 -11.925 1.00 1.00 C ATOM 960 O LYS A 61 15.133 16.984 -11.447 1.00 1.00 O ATOM 961 CB LYS A 61 18.404 16.743 -10.534 1.00 1.00 C ATOM 962 CG LYS A 61 19.471 15.732 -10.106 1.00 1.00 C ATOM 963 CD LYS A 61 19.683 15.767 -8.591 1.00 1.00 C ATOM 964 CE LYS A 61 19.926 14.361 -8.040 1.00 1.00 C ATOM 965 NZ LYS A 61 21.323 14.213 -7.603 1.00 1.00 N ATOM 0 H LYS A 61 18.868 15.761 -12.794 1.00 1.00 H new ATOM 0 HA LYS A 61 16.828 15.363 -10.759 1.00 1.00 H new ATOM 0 HB2 LYS A 61 18.871 17.559 -11.085 1.00 1.00 H new ATOM 0 HB3 LYS A 61 17.937 17.180 -9.651 1.00 1.00 H new ATOM 0 HG2 LYS A 61 19.171 14.730 -10.412 1.00 1.00 H new ATOM 0 HG3 LYS A 61 20.410 15.952 -10.613 1.00 1.00 H new ATOM 0 HD2 LYS A 61 20.533 16.407 -8.354 1.00 1.00 H new ATOM 0 HD3 LYS A 61 18.810 16.205 -8.108 1.00 1.00 H new ATOM 0 HE2 LYS A 61 19.255 14.171 -7.202 1.00 1.00 H new ATOM 0 HE3 LYS A 61 19.698 13.620 -8.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 21.635 13.234 -7.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 21.927 14.862 -8.146 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 21.396 14.438 -6.590 1.00 1.00 H new ATOM 979 N ASN A 62 16.665 17.914 -12.878 1.00 1.00 N ATOM 980 CA ASN A 62 15.753 18.887 -13.454 1.00 1.00 C ATOM 981 C ASN A 62 14.477 18.177 -13.910 1.00 1.00 C ATOM 982 O ASN A 62 13.385 18.625 -13.532 1.00 1.00 O ATOM 983 CB ASN A 62 16.375 19.571 -14.674 1.00 1.00 C ATOM 984 CG ASN A 62 15.634 20.866 -15.014 1.00 1.00 C ATOM 985 OD1 ASN A 62 14.450 21.018 -14.762 1.00 1.00 O ATOM 986 ND2 ASN A 62 16.394 21.787 -15.598 1.00 1.00 N ATOM 0 H ASN A 62 17.611 17.950 -13.258 1.00 1.00 H new ATOM 0 HA ASN A 62 15.535 19.636 -12.693 1.00 1.00 H new ATOM 0 HB2 ASN A 62 17.425 19.789 -14.477 1.00 1.00 H new ATOM 0 HB3 ASN A 62 16.345 18.895 -15.529 1.00 1.00 H new ATOM 0 HD21 ASN A 62 15.992 22.686 -15.864 1.00 1.00 H new ATOM 0 HD22 ASN A 62 17.379 21.595 -15.780 1.00 1.00 H new ATOM 993 N ILE A 63 14.637 17.100 -14.700 1.00 1.00 N ATOM 994 CA ILE A 63 13.507 16.337 -15.201 1.00 1.00 C ATOM 995 C ILE A 63 12.825 15.619 -14.035 1.00 1.00 C ATOM 996 O ILE A 63 11.607 15.785 -13.870 1.00 1.00 O ATOM 997 CB ILE A 63 13.949 15.399 -16.326 1.00 1.00 C ATOM 998 CG1 ILE A 63 14.149 16.169 -17.634 1.00 1.00 C ATOM 999 CG2 ILE A 63 12.967 14.237 -16.489 1.00 1.00 C ATOM 1000 CD1 ILE A 63 14.715 17.565 -17.367 1.00 1.00 C ATOM 0 H ILE A 63 15.546 16.747 -14.999 1.00 1.00 H new ATOM 0 HA ILE A 63 12.766 17.002 -15.645 1.00 1.00 H new ATOM 0 HB ILE A 63 14.913 14.969 -16.054 1.00 1.00 H new ATOM 0 HG12 ILE A 63 14.826 15.617 -18.286 1.00 1.00 H new ATOM 0 HG13 ILE A 63 13.198 16.253 -18.160 1.00 1.00 H new ATOM 0 HG21 ILE A 63 13.305 13.586 -17.295 1.00 1.00 H new ATOM 0 HG22 ILE A 63 12.918 13.669 -15.560 1.00 1.00 H new ATOM 0 HG23 ILE A 63 11.978 14.627 -16.728 1.00 1.00 H new ATOM 0 HD11 ILE A 63 14.848 18.091 -18.313 1.00 1.00 H new ATOM 0 HD12 ILE A 63 14.024 18.123 -16.735 1.00 1.00 H new ATOM 0 HD13 ILE A 63 15.677 17.477 -16.863 1.00 1.00 H new ATOM 1012 N CYS A 64 13.609 14.847 -13.261 1.00 1.00 N ATOM 1013 CA CYS A 64 13.085 14.113 -12.122 1.00 1.00 C ATOM 1014 C CYS A 64 12.951 15.060 -10.928 1.00 1.00 C ATOM 1015 O CYS A 64 11.868 15.635 -10.750 1.00 1.00 O ATOM 1016 CB CYS A 64 13.960 12.902 -11.795 1.00 1.00 C ATOM 1017 SG CYS A 64 14.426 11.889 -13.230 1.00 1.00 S ATOM 0 H CYS A 64 14.610 14.723 -13.414 1.00 1.00 H new ATOM 0 HA CYS A 64 12.097 13.724 -12.368 1.00 1.00 H new ATOM 0 HB2 CYS A 64 14.868 13.250 -11.303 1.00 1.00 H new ATOM 0 HB3 CYS A 64 13.431 12.272 -11.080 1.00 1.00 H new ATOM 0 HG CYS A 64 13.440 11.857 -14.077 1.00 1.00 H new ATOM 1023 N GLU A 65 14.036 15.200 -10.146 1.00 1.00 N ATOM 1024 CA GLU A 65 14.040 16.069 -8.981 1.00 1.00 C ATOM 1025 C GLU A 65 13.128 17.269 -9.243 1.00 1.00 C ATOM 1026 O GLU A 65 12.477 17.733 -8.296 1.00 1.00 O ATOM 1027 CB GLU A 65 15.456 16.524 -8.624 1.00 1.00 C ATOM 1028 CG GLU A 65 16.129 15.528 -7.676 1.00 1.00 C ATOM 1029 CD GLU A 65 16.949 16.256 -6.610 1.00 1.00 C ATOM 1030 OE1 GLU A 65 17.387 17.418 -6.957 1.00 1.00 O ATOM 1031 OE2 GLU A 65 17.149 15.720 -5.509 1.00 1.00 O ATOM 0 H GLU A 65 14.919 14.716 -10.310 1.00 1.00 H new ATOM 0 HA GLU A 65 13.662 15.509 -8.126 1.00 1.00 H new ATOM 0 HB2 GLU A 65 16.050 16.625 -9.533 1.00 1.00 H new ATOM 0 HB3 GLU A 65 15.419 17.508 -8.157 1.00 1.00 H new ATOM 0 HG2 GLU A 65 15.372 14.908 -7.197 1.00 1.00 H new ATOM 0 HG3 GLU A 65 16.776 14.860 -8.244 1.00 1.00 H new ATOM 1038 N ASP A 66 13.099 17.740 -10.503 1.00 1.00 N ATOM 1039 CA ASP A 66 12.274 18.875 -10.882 1.00 1.00 C ATOM 1040 C ASP A 66 13.111 20.154 -10.812 1.00 1.00 C ATOM 1041 O ASP A 66 14.234 20.096 -10.292 1.00 1.00 O ATOM 1042 CB ASP A 66 11.086 19.034 -9.932 1.00 1.00 C ATOM 1043 CG ASP A 66 11.359 19.890 -8.694 1.00 1.00 C ATOM 1044 OD1 ASP A 66 12.518 20.113 -8.314 1.00 1.00 O ATOM 1045 OD2 ASP A 66 10.306 20.343 -8.101 1.00 1.00 O ATOM 0 H ASP A 66 13.643 17.343 -11.269 1.00 1.00 H new ATOM 0 HA ASP A 66 11.906 18.702 -11.893 1.00 1.00 H new ATOM 0 HB2 ASP A 66 10.255 19.474 -10.484 1.00 1.00 H new ATOM 0 HB3 ASP A 66 10.765 18.044 -9.607 1.00 1.00 H new