USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 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 -128:sc= -17.6! USER MOD Set 1.2: A 64 CYS SG : rot -48:sc= -19.6! USER MOD Set 2.1: A 38 GLN : amide:sc= 0.696 K(o=0.13,f=-11!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 155:sc= -0.568 (180deg=-1.65) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.953) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0743 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 172:sc= -1.35! USER MOD Single : A 32 TYR OH : rot 100:sc= 0.0255 USER MOD Single : A 33 ASN : amide:sc= -0.0827 K(o=-0.083,f=-9.7!) USER MOD Single : A 34 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.15) USER MOD Single : A 35 GLN : amide:sc= -0.235 K(o=-0.23,f=-5.4!) USER MOD Single : A 36 THR OG1 : rot -96:sc= 0.859 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -2.47! C(o=-2.5!,f=-3.7!) USER MOD Single : A 51 MET CE :methyl -147:sc= -7.34! (180deg=-8.43!) USER MOD Single : A 52 ASN : amide:sc= -2.09! C(o=-2.1!,f=-10!) USER MOD Single : A 53 ASN : amide:sc= -8.17! C(o=-8.2!,f=-8.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 62 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 9.699 -11.416 -11.476 1.00 1.00 N ATOM 146 CA LYS A 10 10.299 -12.115 -10.352 1.00 1.00 C ATOM 147 C LYS A 10 9.204 -12.504 -9.356 1.00 1.00 C ATOM 148 O LYS A 10 8.273 -11.709 -9.163 1.00 1.00 O ATOM 149 CB LYS A 10 11.420 -11.276 -9.736 1.00 1.00 C ATOM 150 CG LYS A 10 12.793 -11.806 -10.153 1.00 1.00 C ATOM 151 CD LYS A 10 13.495 -12.495 -8.980 1.00 1.00 C ATOM 152 CE LYS A 10 14.792 -11.770 -8.616 1.00 1.00 C ATOM 153 NZ LYS A 10 15.855 -12.741 -8.308 1.00 1.00 N ATOM 0 HA LYS A 10 10.771 -13.039 -10.686 1.00 1.00 H new ATOM 0 HB2 LYS A 10 11.316 -10.237 -10.050 1.00 1.00 H new ATOM 0 HB3 LYS A 10 11.335 -11.291 -8.649 1.00 1.00 H new ATOM 0 HG2 LYS A 10 12.680 -12.510 -10.978 1.00 1.00 H new ATOM 0 HG3 LYS A 10 13.409 -10.984 -10.518 1.00 1.00 H new ATOM 0 HD2 LYS A 10 12.831 -12.516 -8.116 1.00 1.00 H new ATOM 0 HD3 LYS A 10 13.714 -13.531 -9.240 1.00 1.00 H new ATOM 0 HE2 LYS A 10 15.103 -11.131 -9.443 1.00 1.00 H new ATOM 0 HE3 LYS A 10 14.624 -11.121 -7.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 16.783 -12.279 -8.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 15.734 -13.092 -7.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 15.801 -13.538 -8.974 1.00 1.00 H new ATOM 167 N PRO A 11 9.335 -13.699 -8.753 1.00 1.00 N ATOM 168 CA PRO A 11 8.385 -14.217 -7.784 1.00 1.00 C ATOM 169 C PRO A 11 8.479 -13.453 -6.462 1.00 1.00 C ATOM 170 O PRO A 11 9.424 -13.706 -5.700 1.00 1.00 O ATOM 171 CB PRO A 11 8.729 -15.691 -7.644 1.00 1.00 C ATOM 172 CG PRO A 11 10.143 -15.841 -8.182 1.00 1.00 C ATOM 173 CD PRO A 11 10.490 -14.572 -8.943 1.00 1.00 C ATOM 0 HA PRO A 11 7.350 -14.092 -8.102 1.00 1.00 H new ATOM 0 HB2 PRO A 11 8.671 -16.008 -6.603 1.00 1.00 H new ATOM 0 HB3 PRO A 11 8.030 -16.311 -8.205 1.00 1.00 H new ATOM 0 HG2 PRO A 11 10.847 -16.001 -7.365 1.00 1.00 H new ATOM 0 HG3 PRO A 11 10.212 -16.710 -8.837 1.00 1.00 H new ATOM 0 HD2 PRO A 11 11.400 -14.114 -8.556 1.00 1.00 H new ATOM 0 HD3 PRO A 11 10.661 -14.778 -10.000 1.00 1.00 H new ATOM 181 N ASP A 12 7.514 -12.548 -6.219 1.00 1.00 N ATOM 182 CA ASP A 12 7.488 -11.757 -5.001 1.00 1.00 C ATOM 183 C ASP A 12 7.376 -12.690 -3.794 1.00 1.00 C ATOM 184 O ASP A 12 7.968 -12.378 -2.750 1.00 1.00 O ATOM 185 CB ASP A 12 6.284 -10.813 -4.982 1.00 1.00 C ATOM 186 CG ASP A 12 6.354 -9.696 -3.938 1.00 1.00 C ATOM 187 OD1 ASP A 12 7.475 -9.611 -3.305 1.00 1.00 O ATOM 188 OD2 ASP A 12 5.387 -8.945 -3.741 1.00 1.00 O ATOM 0 H ASP A 12 6.744 -12.355 -6.860 1.00 1.00 H new ATOM 0 HA ASP A 12 8.406 -11.171 -4.961 1.00 1.00 H new ATOM 0 HB2 ASP A 12 6.180 -10.362 -5.969 1.00 1.00 H new ATOM 0 HB3 ASP A 12 5.383 -11.401 -4.804 1.00 1.00 H new ATOM 193 N PHE A 13 6.632 -13.799 -3.957 1.00 1.00 N ATOM 194 CA PHE A 13 6.446 -14.766 -2.889 1.00 1.00 C ATOM 195 C PHE A 13 7.812 -15.166 -2.326 1.00 1.00 C ATOM 196 O PHE A 13 7.886 -15.484 -1.130 1.00 1.00 O ATOM 197 CB PHE A 13 5.701 -15.996 -3.441 1.00 1.00 C ATOM 198 CG PHE A 13 6.528 -16.875 -4.370 1.00 1.00 C ATOM 199 CD1 PHE A 13 7.586 -17.661 -3.857 1.00 1.00 C ATOM 200 CD2 PHE A 13 6.245 -16.905 -5.755 1.00 1.00 C ATOM 201 CE1 PHE A 13 8.352 -18.471 -4.722 1.00 1.00 C ATOM 202 CE2 PHE A 13 7.012 -17.715 -6.619 1.00 1.00 C ATOM 203 CZ PHE A 13 8.065 -18.498 -6.103 1.00 1.00 C ATOM 0 H PHE A 13 6.153 -14.038 -4.826 1.00 1.00 H new ATOM 0 HA PHE A 13 5.852 -14.330 -2.086 1.00 1.00 H new ATOM 0 HB2 PHE A 13 5.355 -16.601 -2.603 1.00 1.00 H new ATOM 0 HB3 PHE A 13 4.815 -15.657 -3.977 1.00 1.00 H new ATOM 0 HD1 PHE A 13 7.808 -17.641 -2.800 1.00 1.00 H new ATOM 0 HD2 PHE A 13 5.439 -16.306 -6.153 1.00 1.00 H new ATOM 0 HE1 PHE A 13 9.159 -19.071 -4.327 1.00 1.00 H new ATOM 0 HE2 PHE A 13 6.792 -17.735 -7.676 1.00 1.00 H new ATOM 0 HZ PHE A 13 8.652 -19.118 -6.765 1.00 1.00 H new ATOM 213 N CYS A 14 8.847 -15.143 -3.184 1.00 1.00 N ATOM 214 CA CYS A 14 10.194 -15.500 -2.775 1.00 1.00 C ATOM 215 C CYS A 14 10.687 -14.499 -1.728 1.00 1.00 C ATOM 216 O CYS A 14 11.296 -14.932 -0.738 1.00 1.00 O ATOM 217 CB CYS A 14 11.135 -15.576 -3.979 1.00 1.00 C ATOM 218 SG CYS A 14 10.894 -17.029 -5.044 1.00 1.00 S ATOM 0 H CYS A 14 8.764 -14.878 -4.166 1.00 1.00 H new ATOM 0 HA CYS A 14 10.183 -16.493 -2.326 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.006 -14.676 -4.581 1.00 1.00 H new ATOM 0 HB3 CYS A 14 12.164 -15.573 -3.619 1.00 1.00 H new ATOM 0 HG CYS A 14 12.031 -17.635 -5.215 1.00 1.00 H new ATOM 224 N PHE A 15 10.420 -13.202 -1.962 1.00 1.00 N ATOM 225 CA PHE A 15 10.833 -12.153 -1.046 1.00 1.00 C ATOM 226 C PHE A 15 9.932 -12.177 0.191 1.00 1.00 C ATOM 227 O PHE A 15 10.204 -11.420 1.134 1.00 1.00 O ATOM 228 CB PHE A 15 10.745 -10.791 -1.760 1.00 1.00 C ATOM 229 CG PHE A 15 11.367 -10.761 -3.150 1.00 1.00 C ATOM 230 CD1 PHE A 15 12.679 -11.248 -3.356 1.00 1.00 C ATOM 231 CD2 PHE A 15 10.637 -10.239 -4.242 1.00 1.00 C ATOM 232 CE1 PHE A 15 13.254 -11.215 -4.645 1.00 1.00 C ATOM 233 CE2 PHE A 15 11.213 -10.206 -5.530 1.00 1.00 C ATOM 234 CZ PHE A 15 12.521 -10.694 -5.732 1.00 1.00 C ATOM 0 H PHE A 15 9.918 -12.866 -2.784 1.00 1.00 H new ATOM 0 HA PHE A 15 11.863 -12.315 -0.729 1.00 1.00 H new ATOM 0 HB2 PHE A 15 9.696 -10.505 -1.840 1.00 1.00 H new ATOM 0 HB3 PHE A 15 11.235 -10.039 -1.141 1.00 1.00 H new ATOM 0 HD1 PHE A 15 13.242 -11.646 -2.525 1.00 1.00 H new ATOM 0 HD2 PHE A 15 9.636 -9.864 -4.090 1.00 1.00 H new ATOM 0 HE1 PHE A 15 14.255 -11.589 -4.799 1.00 1.00 H new ATOM 0 HE2 PHE A 15 10.652 -9.807 -6.362 1.00 1.00 H new ATOM 0 HZ PHE A 15 12.961 -10.669 -6.718 1.00 1.00 H new ATOM 244 N LEU A 16 8.894 -13.032 0.162 1.00 1.00 N ATOM 245 CA LEU A 16 7.964 -13.151 1.272 1.00 1.00 C ATOM 246 C LEU A 16 8.637 -13.911 2.417 1.00 1.00 C ATOM 247 O LEU A 16 9.241 -14.962 2.152 1.00 1.00 O ATOM 248 CB LEU A 16 6.650 -13.781 0.805 1.00 1.00 C ATOM 249 CG LEU A 16 5.372 -13.037 1.199 1.00 1.00 C ATOM 250 CD1 LEU A 16 4.745 -12.345 -0.013 1.00 1.00 C ATOM 251 CD2 LEU A 16 4.386 -13.974 1.898 1.00 1.00 C ATOM 0 H LEU A 16 8.688 -13.647 -0.625 1.00 1.00 H new ATOM 0 HA LEU A 16 7.700 -12.165 1.655 1.00 1.00 H new ATOM 0 HB2 LEU A 16 6.677 -13.866 -0.281 1.00 1.00 H new ATOM 0 HB3 LEU A 16 6.594 -14.794 1.203 1.00 1.00 H new ATOM 0 HG LEU A 16 5.637 -12.257 1.913 1.00 1.00 H new ATOM 0 HD11 LEU A 16 3.838 -11.824 0.294 1.00 1.00 H new ATOM 0 HD12 LEU A 16 5.453 -11.628 -0.429 1.00 1.00 H new ATOM 0 HD13 LEU A 16 4.497 -13.090 -0.769 1.00 1.00 H new ATOM 0 HD21 LEU A 16 3.487 -13.420 2.167 1.00 1.00 H new ATOM 0 HD22 LEU A 16 4.122 -14.791 1.226 1.00 1.00 H new ATOM 0 HD23 LEU A 16 4.846 -14.380 2.799 1.00 1.00 H new ATOM 263 N GLU A 17 8.523 -13.375 3.645 1.00 1.00 N ATOM 264 CA GLU A 17 9.116 -13.999 4.815 1.00 1.00 C ATOM 265 C GLU A 17 8.734 -15.480 4.848 1.00 1.00 C ATOM 266 O GLU A 17 7.804 -15.865 4.125 1.00 1.00 O ATOM 267 CB GLU A 17 8.690 -13.294 6.105 1.00 1.00 C ATOM 268 CG GLU A 17 9.739 -12.271 6.543 1.00 1.00 C ATOM 269 CD GLU A 17 9.903 -12.272 8.065 1.00 1.00 C ATOM 270 OE1 GLU A 17 10.516 -13.195 8.622 1.00 1.00 O ATOM 271 OE2 GLU A 17 9.369 -11.267 8.671 1.00 1.00 O ATOM 0 H GLU A 17 8.022 -12.508 3.841 1.00 1.00 H new ATOM 0 HA GLU A 17 10.200 -13.909 4.747 1.00 1.00 H new ATOM 0 HB2 GLU A 17 7.733 -12.796 5.952 1.00 1.00 H new ATOM 0 HB3 GLU A 17 8.543 -14.031 6.895 1.00 1.00 H new ATOM 0 HG2 GLU A 17 10.694 -12.499 6.070 1.00 1.00 H new ATOM 0 HG3 GLU A 17 9.446 -11.277 6.206 1.00 1.00 H new ATOM 278 N GLU A 18 9.447 -16.268 5.672 1.00 1.00 N ATOM 279 CA GLU A 18 9.184 -17.692 5.795 1.00 1.00 C ATOM 280 C GLU A 18 8.007 -17.908 6.749 1.00 1.00 C ATOM 281 O GLU A 18 8.107 -17.489 7.912 1.00 1.00 O ATOM 282 CB GLU A 18 10.423 -18.454 6.271 1.00 1.00 C ATOM 283 CG GLU A 18 10.471 -18.522 7.799 1.00 1.00 C ATOM 284 CD GLU A 18 11.858 -18.951 8.284 1.00 1.00 C ATOM 285 OE1 GLU A 18 12.640 -19.408 7.366 1.00 1.00 O ATOM 286 OE2 GLU A 18 12.154 -18.846 9.484 1.00 1.00 O ATOM 0 H GLU A 18 10.210 -15.931 6.260 1.00 1.00 H new ATOM 0 HA GLU A 18 8.928 -18.086 4.812 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.415 -19.463 5.859 1.00 1.00 H new ATOM 0 HB3 GLU A 18 11.322 -17.964 5.897 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.220 -17.548 8.218 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.721 -19.227 8.159 1.00 1.00 H new ATOM 293 N ASP A 19 6.935 -18.547 6.248 1.00 1.00 N ATOM 294 CA ASP A 19 5.754 -18.815 7.051 1.00 1.00 C ATOM 295 C ASP A 19 5.596 -20.326 7.231 1.00 1.00 C ATOM 296 O ASP A 19 5.093 -20.981 6.306 1.00 1.00 O ATOM 297 CB ASP A 19 4.492 -18.286 6.366 1.00 1.00 C ATOM 298 CG ASP A 19 3.334 -17.957 7.310 1.00 1.00 C ATOM 299 OD1 ASP A 19 3.598 -17.072 8.210 1.00 1.00 O ATOM 300 OD2 ASP A 19 2.234 -18.518 7.191 1.00 1.00 O ATOM 0 H ASP A 19 6.873 -18.884 5.287 1.00 1.00 H new ATOM 0 HA ASP A 19 5.879 -18.317 8.012 1.00 1.00 H new ATOM 0 HB2 ASP A 19 4.750 -17.388 5.805 1.00 1.00 H new ATOM 0 HB3 ASP A 19 4.152 -19.027 5.642 1.00 1.00 H new ATOM 305 N PRO A 20 6.022 -20.841 8.398 1.00 1.00 N ATOM 306 CA PRO A 20 5.944 -22.254 8.727 1.00 1.00 C ATOM 307 C PRO A 20 4.520 -22.646 9.126 1.00 1.00 C ATOM 308 O PRO A 20 4.348 -23.213 10.215 1.00 1.00 O ATOM 309 CB PRO A 20 6.951 -22.452 9.849 1.00 1.00 C ATOM 310 CG PRO A 20 7.216 -21.069 10.420 1.00 1.00 C ATOM 311 CD PRO A 20 6.664 -20.046 9.441 1.00 1.00 C ATOM 0 HA PRO A 20 6.180 -22.897 7.879 1.00 1.00 H new ATOM 0 HB2 PRO A 20 6.557 -23.121 10.614 1.00 1.00 H new ATOM 0 HB3 PRO A 20 7.870 -22.902 9.474 1.00 1.00 H new ATOM 0 HG2 PRO A 20 6.739 -20.961 11.394 1.00 1.00 H new ATOM 0 HG3 PRO A 20 8.285 -20.916 10.569 1.00 1.00 H new ATOM 0 HD2 PRO A 20 5.951 -19.378 9.925 1.00 1.00 H new ATOM 0 HD3 PRO A 20 7.458 -19.422 9.031 1.00 1.00 H new ATOM 319 N GLY A 21 3.545 -22.343 8.251 1.00 1.00 N ATOM 320 CA GLY A 21 2.151 -22.662 8.510 1.00 1.00 C ATOM 321 C GLY A 21 1.954 -22.882 10.011 1.00 1.00 C ATOM 322 O GLY A 21 2.336 -21.997 10.792 1.00 1.00 O ATOM 0 H GLY A 21 3.709 -21.876 7.359 1.00 1.00 H new ATOM 0 HA2 GLY A 21 1.510 -21.852 8.162 1.00 1.00 H new ATOM 0 HA3 GLY A 21 1.862 -23.557 7.958 1.00 1.00 H new ATOM 326 N ILE A 22 1.370 -24.036 10.380 1.00 1.00 N ATOM 327 CA ILE A 22 1.126 -24.365 11.774 1.00 1.00 C ATOM 328 C ILE A 22 1.747 -25.728 12.088 1.00 1.00 C ATOM 329 O ILE A 22 2.739 -25.766 12.832 1.00 1.00 O ATOM 330 CB ILE A 22 -0.369 -24.284 12.090 1.00 1.00 C ATOM 331 CG1 ILE A 22 -1.055 -23.225 11.224 1.00 1.00 C ATOM 332 CG2 ILE A 22 -0.601 -24.042 13.582 1.00 1.00 C ATOM 333 CD1 ILE A 22 -2.350 -22.738 11.877 1.00 1.00 C ATOM 0 H ILE A 22 1.062 -24.751 9.721 1.00 1.00 H new ATOM 0 HA ILE A 22 1.607 -23.636 12.427 1.00 1.00 H new ATOM 0 HB ILE A 22 -0.823 -25.244 11.845 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -0.381 -22.382 11.072 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -1.273 -23.640 10.240 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -1.672 -23.989 13.780 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -0.167 -24.861 14.155 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -0.130 -23.104 13.876 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -2.818 -21.986 11.241 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -3.031 -23.579 12.006 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -2.125 -22.301 12.850 1.00 1.00 H new ATOM 345 N CYS A 23 1.163 -26.800 11.526 1.00 1.00 N ATOM 346 CA CYS A 23 1.656 -28.149 11.745 1.00 1.00 C ATOM 347 C CYS A 23 3.152 -28.095 12.063 1.00 1.00 C ATOM 348 O CYS A 23 3.957 -28.156 11.122 1.00 1.00 O ATOM 349 CB CYS A 23 1.360 -29.048 10.542 1.00 1.00 C ATOM 350 SG CYS A 23 -0.386 -29.106 10.046 1.00 1.00 S ATOM 0 H CYS A 23 0.347 -26.746 10.916 1.00 1.00 H new ATOM 0 HA CYS A 23 1.136 -28.589 12.596 1.00 1.00 H new ATOM 0 HB2 CYS A 23 1.953 -28.704 9.694 1.00 1.00 H new ATOM 0 HB3 CYS A 23 1.691 -30.060 10.773 1.00 1.00 H new ATOM 0 HG CYS A 23 -0.520 -29.893 9.020 1.00 1.00 H new ATOM 356 N ARG A 24 3.489 -27.984 13.360 1.00 1.00 N ATOM 357 CA ARG A 24 4.874 -27.923 13.794 1.00 1.00 C ATOM 358 C ARG A 24 5.742 -28.732 12.828 1.00 1.00 C ATOM 359 O ARG A 24 6.843 -28.268 12.495 1.00 1.00 O ATOM 360 CB ARG A 24 5.046 -28.478 15.210 1.00 1.00 C ATOM 361 CG ARG A 24 4.082 -29.638 15.465 1.00 1.00 C ATOM 362 CD ARG A 24 4.828 -30.863 15.998 1.00 1.00 C ATOM 363 NE ARG A 24 3.905 -31.719 16.777 1.00 1.00 N ATOM 364 CZ ARG A 24 4.194 -32.975 17.178 1.00 1.00 C ATOM 365 NH1 ARG A 24 5.385 -33.500 16.862 1.00 1.00 N ATOM 366 NH2 ARG A 24 3.302 -33.686 17.881 1.00 1.00 N ATOM 0 H ARG A 24 2.810 -27.935 14.120 1.00 1.00 H new ATOM 0 HA ARG A 24 5.181 -26.877 13.800 1.00 1.00 H new ATOM 0 HB2 ARG A 24 6.073 -28.816 15.350 1.00 1.00 H new ATOM 0 HB3 ARG A 24 4.869 -27.687 15.939 1.00 1.00 H new ATOM 0 HG2 ARG A 24 3.320 -29.332 16.182 1.00 1.00 H new ATOM 0 HG3 ARG A 24 3.565 -29.896 14.541 1.00 1.00 H new ATOM 0 HD2 ARG A 24 5.251 -31.430 15.169 1.00 1.00 H new ATOM 0 HD3 ARG A 24 5.661 -30.547 16.626 1.00 1.00 H new ATOM 0 HE ARG A 24 2.993 -31.336 17.026 1.00 1.00 H new ATOM 0 HH11 ARG A 24 6.058 -32.952 16.326 1.00 1.00 H new ATOM 0 HH12 ARG A 24 5.619 -34.448 17.157 1.00 1.00 H new ATOM 0 HH21 ARG A 24 2.397 -33.279 18.117 1.00 1.00 H new ATOM 0 HH22 ARG A 24 3.528 -34.635 18.180 1.00 1.00 H new ATOM 380 N GLY A 25 5.240 -29.905 12.404 1.00 1.00 N ATOM 381 CA GLY A 25 5.965 -30.766 11.485 1.00 1.00 C ATOM 382 C GLY A 25 7.111 -29.977 10.850 1.00 1.00 C ATOM 383 O GLY A 25 6.931 -29.472 9.732 1.00 1.00 O ATOM 0 H GLY A 25 4.331 -30.269 12.691 1.00 1.00 H new ATOM 0 HA2 GLY A 25 6.356 -31.635 12.015 1.00 1.00 H new ATOM 0 HA3 GLY A 25 5.293 -31.140 10.712 1.00 1.00 H new ATOM 387 N TYR A 26 8.248 -29.887 11.563 1.00 1.00 N ATOM 388 CA TYR A 26 9.373 -29.146 11.017 1.00 1.00 C ATOM 389 C TYR A 26 9.975 -29.930 9.849 1.00 1.00 C ATOM 390 O TYR A 26 10.295 -31.112 10.044 1.00 1.00 O ATOM 391 CB TYR A 26 10.409 -28.881 12.124 1.00 1.00 C ATOM 392 CG TYR A 26 9.997 -27.818 13.133 1.00 1.00 C ATOM 393 CD1 TYR A 26 8.993 -26.879 12.801 1.00 1.00 C ATOM 394 CD2 TYR A 26 10.607 -27.767 14.408 1.00 1.00 C ATOM 395 CE1 TYR A 26 8.605 -25.895 13.734 1.00 1.00 C ATOM 396 CE2 TYR A 26 10.219 -26.782 15.341 1.00 1.00 C ATOM 397 CZ TYR A 26 9.218 -25.844 15.005 1.00 1.00 C ATOM 398 OH TYR A 26 8.840 -24.889 15.905 1.00 1.00 O ATOM 0 H TYR A 26 8.400 -30.304 12.481 1.00 1.00 H new ATOM 0 HA TYR A 26 9.040 -28.179 10.640 1.00 1.00 H new ATOM 0 HB2 TYR A 26 10.601 -29.813 12.655 1.00 1.00 H new ATOM 0 HB3 TYR A 26 11.348 -28.579 11.660 1.00 1.00 H new ATOM 0 HD1 TYR A 26 8.522 -26.915 11.830 1.00 1.00 H new ATOM 0 HD2 TYR A 26 11.372 -28.484 14.668 1.00 1.00 H new ATOM 0 HE1 TYR A 26 7.838 -25.180 13.476 1.00 1.00 H new ATOM 0 HE2 TYR A 26 10.688 -26.745 16.313 1.00 1.00 H new ATOM 0 HH TYR A 26 9.358 -24.994 16.730 1.00 1.00 H new ATOM 408 N ILE A 27 10.108 -29.278 8.680 1.00 1.00 N ATOM 409 CA ILE A 27 10.656 -29.920 7.498 1.00 1.00 C ATOM 410 C ILE A 27 11.810 -29.077 6.953 1.00 1.00 C ATOM 411 O ILE A 27 11.551 -27.964 6.471 1.00 1.00 O ATOM 412 CB ILE A 27 9.552 -30.187 6.473 1.00 1.00 C ATOM 413 CG1 ILE A 27 8.208 -30.429 7.164 1.00 1.00 C ATOM 414 CG2 ILE A 27 9.934 -31.340 5.542 1.00 1.00 C ATOM 415 CD1 ILE A 27 7.345 -29.166 7.143 1.00 1.00 C ATOM 0 H ILE A 27 9.839 -28.304 8.541 1.00 1.00 H new ATOM 0 HA ILE A 27 11.067 -30.897 7.752 1.00 1.00 H new ATOM 0 HB ILE A 27 9.440 -29.297 5.854 1.00 1.00 H new ATOM 0 HG12 ILE A 27 7.680 -31.242 6.666 1.00 1.00 H new ATOM 0 HG13 ILE A 27 8.376 -30.742 8.195 1.00 1.00 H new ATOM 0 HG21 ILE A 27 9.132 -31.509 4.824 1.00 1.00 H new ATOM 0 HG22 ILE A 27 10.851 -31.089 5.009 1.00 1.00 H new ATOM 0 HG23 ILE A 27 10.091 -32.245 6.129 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.396 -29.366 7.640 1.00 1.00 H new ATOM 0 HD12 ILE A 27 7.865 -28.361 7.663 1.00 1.00 H new ATOM 0 HD13 ILE A 27 7.158 -28.870 6.111 1.00 1.00 H new ATOM 427 N THR A 28 13.040 -29.613 7.039 1.00 1.00 N ATOM 428 CA THR A 28 14.220 -28.914 6.558 1.00 1.00 C ATOM 429 C THR A 28 13.964 -28.409 5.137 1.00 1.00 C ATOM 430 O THR A 28 14.346 -29.105 4.185 1.00 1.00 O ATOM 431 CB THR A 28 15.422 -29.856 6.660 1.00 1.00 C ATOM 432 OG1 THR A 28 15.607 -30.032 8.062 1.00 1.00 O ATOM 433 CG2 THR A 28 16.722 -29.199 6.192 1.00 1.00 C ATOM 0 H THR A 28 13.232 -30.531 7.440 1.00 1.00 H new ATOM 0 HA THR A 28 14.442 -28.037 7.166 1.00 1.00 H new ATOM 0 HB THR A 28 15.233 -30.751 6.067 1.00 1.00 H new ATOM 0 HG1 THR A 28 16.366 -30.631 8.219 1.00 1.00 H new ATOM 0 HG21 THR A 28 17.543 -29.910 6.285 1.00 1.00 H new ATOM 0 HG22 THR A 28 16.621 -28.895 5.150 1.00 1.00 H new ATOM 0 HG23 THR A 28 16.929 -28.323 6.807 1.00 1.00 H new ATOM 441 N ARG A 29 13.333 -27.226 5.023 1.00 1.00 N ATOM 442 CA ARG A 29 13.030 -26.636 3.730 1.00 1.00 C ATOM 443 C ARG A 29 13.862 -25.365 3.547 1.00 1.00 C ATOM 444 O ARG A 29 14.626 -25.024 4.462 1.00 1.00 O ATOM 445 CB ARG A 29 11.546 -26.289 3.602 1.00 1.00 C ATOM 446 CG ARG A 29 10.700 -27.552 3.428 1.00 1.00 C ATOM 447 CD ARG A 29 10.017 -27.570 2.059 1.00 1.00 C ATOM 448 NE ARG A 29 8.648 -28.117 2.184 1.00 1.00 N ATOM 449 CZ ARG A 29 8.365 -29.434 2.278 1.00 1.00 C ATOM 450 NH1 ARG A 29 9.371 -30.317 2.261 1.00 1.00 N ATOM 451 NH2 ARG A 29 7.096 -29.850 2.389 1.00 1.00 N ATOM 0 H ARG A 29 13.027 -26.668 5.820 1.00 1.00 H new ATOM 0 HA ARG A 29 13.275 -27.367 2.960 1.00 1.00 H new ATOM 0 HB2 ARG A 29 11.218 -25.747 4.489 1.00 1.00 H new ATOM 0 HB3 ARG A 29 11.396 -25.626 2.750 1.00 1.00 H new ATOM 0 HG2 ARG A 29 11.331 -28.434 3.535 1.00 1.00 H new ATOM 0 HG3 ARG A 29 9.947 -27.601 4.215 1.00 1.00 H new ATOM 0 HD2 ARG A 29 9.978 -26.561 1.649 1.00 1.00 H new ATOM 0 HD3 ARG A 29 10.597 -28.175 1.362 1.00 1.00 H new ATOM 0 HE ARG A 29 7.869 -27.458 2.200 1.00 1.00 H new ATOM 0 HH11 ARG A 29 10.334 -29.991 2.178 1.00 1.00 H new ATOM 0 HH12 ARG A 29 9.174 -31.315 2.331 1.00 1.00 H new ATOM 0 HH21 ARG A 29 6.336 -29.170 2.403 1.00 1.00 H new ATOM 0 HH22 ARG A 29 6.890 -30.847 2.460 1.00 1.00 H new ATOM 465 N TYR A 30 13.700 -24.701 2.389 1.00 1.00 N ATOM 466 CA TYR A 30 14.464 -23.488 2.152 1.00 1.00 C ATOM 467 C TYR A 30 13.519 -22.376 1.692 1.00 1.00 C ATOM 468 O TYR A 30 12.403 -22.701 1.261 1.00 1.00 O ATOM 469 CB TYR A 30 15.572 -23.763 1.119 1.00 1.00 C ATOM 470 CG TYR A 30 16.569 -24.836 1.533 1.00 1.00 C ATOM 471 CD1 TYR A 30 16.167 -26.188 1.626 1.00 1.00 C ATOM 472 CD2 TYR A 30 17.905 -24.482 1.832 1.00 1.00 C ATOM 473 CE1 TYR A 30 17.095 -27.179 2.013 1.00 1.00 C ATOM 474 CE2 TYR A 30 18.832 -25.473 2.219 1.00 1.00 C ATOM 475 CZ TYR A 30 18.429 -26.822 2.310 1.00 1.00 C ATOM 476 OH TYR A 30 19.330 -27.778 2.684 1.00 1.00 O ATOM 0 H TYR A 30 13.070 -24.978 1.636 1.00 1.00 H new ATOM 0 HA TYR A 30 14.947 -23.161 3.073 1.00 1.00 H new ATOM 0 HB2 TYR A 30 15.108 -24.059 0.178 1.00 1.00 H new ATOM 0 HB3 TYR A 30 16.113 -22.836 0.930 1.00 1.00 H new ATOM 0 HD1 TYR A 30 15.147 -26.464 1.400 1.00 1.00 H new ATOM 0 HD2 TYR A 30 18.217 -23.450 1.764 1.00 1.00 H new ATOM 0 HE1 TYR A 30 16.785 -28.211 2.082 1.00 1.00 H new ATOM 0 HE2 TYR A 30 19.852 -25.198 2.446 1.00 1.00 H new ATOM 0 HH TYR A 30 20.226 -27.384 2.726 1.00 1.00 H new ATOM 486 N PHE A 31 13.967 -21.112 1.798 1.00 1.00 N ATOM 487 CA PHE A 31 13.156 -19.973 1.403 1.00 1.00 C ATOM 488 C PHE A 31 14.070 -18.787 1.089 1.00 1.00 C ATOM 489 O PHE A 31 15.122 -18.665 1.734 1.00 1.00 O ATOM 490 CB PHE A 31 12.181 -19.624 2.545 1.00 1.00 C ATOM 491 CG PHE A 31 12.792 -18.801 3.672 1.00 1.00 C ATOM 492 CD1 PHE A 31 13.751 -19.381 4.533 1.00 1.00 C ATOM 493 CD2 PHE A 31 12.409 -17.453 3.861 1.00 1.00 C ATOM 494 CE1 PHE A 31 14.322 -18.620 5.576 1.00 1.00 C ATOM 495 CE2 PHE A 31 12.980 -16.692 4.903 1.00 1.00 C ATOM 496 CZ PHE A 31 13.936 -17.276 5.761 1.00 1.00 C ATOM 0 H PHE A 31 14.890 -20.865 2.156 1.00 1.00 H new ATOM 0 HA PHE A 31 12.578 -20.214 0.511 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.336 -19.075 2.129 1.00 1.00 H new ATOM 0 HB3 PHE A 31 11.785 -20.550 2.962 1.00 1.00 H new ATOM 0 HD1 PHE A 31 14.048 -20.410 4.393 1.00 1.00 H new ATOM 0 HD2 PHE A 31 11.677 -17.004 3.206 1.00 1.00 H new ATOM 0 HE1 PHE A 31 15.054 -19.067 6.232 1.00 1.00 H new ATOM 0 HE2 PHE A 31 12.685 -15.663 5.044 1.00 1.00 H new ATOM 0 HZ PHE A 31 14.372 -16.694 6.559 1.00 1.00 H new ATOM 506 N TYR A 32 13.659 -17.950 0.119 1.00 1.00 N ATOM 507 CA TYR A 32 14.484 -16.806 -0.231 1.00 1.00 C ATOM 508 C TYR A 32 14.247 -15.683 0.781 1.00 1.00 C ATOM 509 O TYR A 32 13.214 -15.007 0.669 1.00 1.00 O ATOM 510 CB TYR A 32 14.170 -16.358 -1.670 1.00 1.00 C ATOM 511 CG TYR A 32 15.190 -15.398 -2.268 1.00 1.00 C ATOM 512 CD1 TYR A 32 15.096 -14.012 -2.005 1.00 1.00 C ATOM 513 CD2 TYR A 32 16.237 -15.885 -3.084 1.00 1.00 C ATOM 514 CE1 TYR A 32 16.040 -13.120 -2.555 1.00 1.00 C ATOM 515 CE2 TYR A 32 17.182 -14.992 -3.633 1.00 1.00 C ATOM 516 CZ TYR A 32 17.083 -13.608 -3.370 1.00 1.00 C ATOM 517 OH TYR A 32 17.995 -12.740 -3.902 1.00 1.00 O ATOM 0 H TYR A 32 12.793 -18.046 -0.412 1.00 1.00 H new ATOM 0 HA TYR A 32 15.539 -17.077 -0.194 1.00 1.00 H new ATOM 0 HB2 TYR A 32 14.104 -17.241 -2.306 1.00 1.00 H new ATOM 0 HB3 TYR A 32 13.190 -15.882 -1.683 1.00 1.00 H new ATOM 0 HD1 TYR A 32 14.299 -13.635 -1.381 1.00 1.00 H new ATOM 0 HD2 TYR A 32 16.314 -16.943 -3.288 1.00 1.00 H new ATOM 0 HE1 TYR A 32 15.964 -12.062 -2.352 1.00 1.00 H new ATOM 0 HE2 TYR A 32 17.981 -15.367 -4.255 1.00 1.00 H new ATOM 0 HH TYR A 32 18.814 -12.756 -3.364 1.00 1.00 H new ATOM 527 N ASN A 33 15.180 -15.515 1.735 1.00 1.00 N ATOM 528 CA ASN A 33 15.059 -14.489 2.757 1.00 1.00 C ATOM 529 C ASN A 33 15.763 -13.216 2.282 1.00 1.00 C ATOM 530 O ASN A 33 16.942 -13.298 1.909 1.00 1.00 O ATOM 531 CB ASN A 33 15.719 -14.934 4.064 1.00 1.00 C ATOM 532 CG ASN A 33 15.304 -14.026 5.224 1.00 1.00 C ATOM 533 OD1 ASN A 33 14.803 -12.929 5.039 1.00 1.00 O ATOM 534 ND2 ASN A 33 15.541 -14.543 6.426 1.00 1.00 N ATOM 0 H ASN A 33 16.024 -16.084 1.810 1.00 1.00 H new ATOM 0 HA ASN A 33 13.998 -14.309 2.931 1.00 1.00 H new ATOM 0 HB2 ASN A 33 15.439 -15.964 4.285 1.00 1.00 H new ATOM 0 HB3 ASN A 33 16.803 -14.916 3.953 1.00 1.00 H new ATOM 0 HD21 ASN A 33 15.300 -14.015 7.265 1.00 1.00 H new ATOM 0 HD22 ASN A 33 15.963 -15.468 6.509 1.00 1.00 H new ATOM 541 N ASN A 34 15.038 -12.083 2.304 1.00 1.00 N ATOM 542 CA ASN A 34 15.589 -10.808 1.878 1.00 1.00 C ATOM 543 C ASN A 34 16.638 -10.347 2.892 1.00 1.00 C ATOM 544 O ASN A 34 17.516 -9.557 2.515 1.00 1.00 O ATOM 545 CB ASN A 34 14.500 -9.736 1.803 1.00 1.00 C ATOM 546 CG ASN A 34 15.114 -8.336 1.719 1.00 1.00 C ATOM 547 OD1 ASN A 34 15.796 -7.985 0.771 1.00 1.00 O ATOM 548 ND2 ASN A 34 14.835 -7.560 2.762 1.00 1.00 N ATOM 0 H ASN A 34 14.068 -12.037 2.615 1.00 1.00 H new ATOM 0 HA ASN A 34 16.030 -10.943 0.891 1.00 1.00 H new ATOM 0 HB2 ASN A 34 13.869 -9.913 0.932 1.00 1.00 H new ATOM 0 HB3 ASN A 34 13.857 -9.803 2.681 1.00 1.00 H new ATOM 0 HD21 ASN A 34 15.199 -6.608 2.801 1.00 1.00 H new ATOM 0 HD22 ASN A 34 14.257 -7.917 3.523 1.00 1.00 H new ATOM 555 N GLN A 35 16.528 -10.840 4.139 1.00 1.00 N ATOM 556 CA GLN A 35 17.460 -10.481 5.194 1.00 1.00 C ATOM 557 C GLN A 35 18.890 -10.738 4.714 1.00 1.00 C ATOM 558 O GLN A 35 19.792 -9.991 5.122 1.00 1.00 O ATOM 559 CB GLN A 35 17.169 -11.247 6.486 1.00 1.00 C ATOM 560 CG GLN A 35 17.459 -10.381 7.714 1.00 1.00 C ATOM 561 CD GLN A 35 18.888 -10.602 8.215 1.00 1.00 C ATOM 562 OE1 GLN A 35 19.714 -11.219 7.562 1.00 1.00 O ATOM 563 NE2 GLN A 35 19.132 -10.065 9.406 1.00 1.00 N ATOM 0 H GLN A 35 15.797 -11.489 4.429 1.00 1.00 H new ATOM 0 HA GLN A 35 17.341 -9.421 5.420 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.126 -11.564 6.498 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.777 -12.151 6.522 1.00 1.00 H new ATOM 0 HG2 GLN A 35 17.316 -9.330 7.464 1.00 1.00 H new ATOM 0 HG3 GLN A 35 16.751 -10.620 8.507 1.00 1.00 H new ATOM 0 HE21 GLN A 35 18.395 -9.561 9.899 1.00 1.00 H new ATOM 0 HE22 GLN A 35 20.056 -10.157 9.827 1.00 1.00 H new ATOM 572 N THR A 36 19.066 -11.771 3.872 1.00 1.00 N ATOM 573 CA THR A 36 20.375 -12.120 3.345 1.00 1.00 C ATOM 574 C THR A 36 20.297 -12.209 1.819 1.00 1.00 C ATOM 575 O THR A 36 21.177 -12.845 1.220 1.00 1.00 O ATOM 576 CB THR A 36 20.838 -13.419 4.006 1.00 1.00 C ATOM 577 OG1 THR A 36 19.868 -14.381 3.600 1.00 1.00 O ATOM 578 CG2 THR A 36 20.707 -13.379 5.530 1.00 1.00 C ATOM 0 H THR A 36 18.310 -12.373 3.548 1.00 1.00 H new ATOM 0 HA THR A 36 21.117 -11.356 3.576 1.00 1.00 H new ATOM 0 HB THR A 36 21.876 -13.614 3.735 1.00 1.00 H new ATOM 0 HG1 THR A 36 19.183 -14.469 4.296 1.00 1.00 H new ATOM 0 HG21 THR A 36 21.049 -14.325 5.950 1.00 1.00 H new ATOM 0 HG22 THR A 36 21.315 -12.566 5.926 1.00 1.00 H new ATOM 0 HG23 THR A 36 19.664 -13.218 5.801 1.00 1.00 H new ATOM 586 N LYS A 37 19.264 -11.581 1.231 1.00 1.00 N ATOM 587 CA LYS A 37 19.076 -11.590 -0.210 1.00 1.00 C ATOM 588 C LYS A 37 19.568 -12.924 -0.776 1.00 1.00 C ATOM 589 O LYS A 37 20.403 -12.904 -1.692 1.00 1.00 O ATOM 590 CB LYS A 37 19.745 -10.369 -0.844 1.00 1.00 C ATOM 591 CG LYS A 37 19.079 -9.074 -0.375 1.00 1.00 C ATOM 592 CD LYS A 37 20.048 -8.229 0.455 1.00 1.00 C ATOM 593 CE LYS A 37 20.953 -7.387 -0.447 1.00 1.00 C ATOM 594 NZ LYS A 37 21.183 -6.060 0.148 1.00 1.00 N ATOM 0 H LYS A 37 18.550 -11.062 1.743 1.00 1.00 H new ATOM 0 HA LYS A 37 18.017 -11.510 -0.457 1.00 1.00 H new ATOM 0 HB2 LYS A 37 20.803 -10.353 -0.583 1.00 1.00 H new ATOM 0 HB3 LYS A 37 19.686 -10.440 -1.930 1.00 1.00 H new ATOM 0 HG2 LYS A 37 18.740 -8.502 -1.238 1.00 1.00 H new ATOM 0 HG3 LYS A 37 18.196 -9.309 0.219 1.00 1.00 H new ATOM 0 HD2 LYS A 37 19.486 -7.576 1.123 1.00 1.00 H new ATOM 0 HD3 LYS A 37 20.658 -8.879 1.082 1.00 1.00 H new ATOM 0 HE2 LYS A 37 21.905 -7.896 -0.594 1.00 1.00 H new ATOM 0 HE3 LYS A 37 20.496 -7.277 -1.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 21.799 -5.501 -0.477 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 20.273 -5.570 0.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 21.639 -6.170 1.076 1.00 1.00 H new ATOM 608 N GLN A 38 19.051 -14.038 -0.228 1.00 1.00 N ATOM 609 CA GLN A 38 19.436 -15.366 -0.675 1.00 1.00 C ATOM 610 C GLN A 38 18.429 -16.389 -0.145 1.00 1.00 C ATOM 611 O GLN A 38 17.341 -15.978 0.285 1.00 1.00 O ATOM 612 CB GLN A 38 20.858 -15.717 -0.234 1.00 1.00 C ATOM 613 CG GLN A 38 21.754 -15.995 -1.443 1.00 1.00 C ATOM 614 CD GLN A 38 22.802 -17.061 -1.116 1.00 1.00 C ATOM 615 OE1 GLN A 38 22.539 -18.037 -0.433 1.00 1.00 O ATOM 616 NE2 GLN A 38 24.000 -16.820 -1.639 1.00 1.00 N ATOM 0 H GLN A 38 18.365 -14.033 0.526 1.00 1.00 H new ATOM 0 HA GLN A 38 19.428 -15.384 -1.765 1.00 1.00 H new ATOM 0 HB2 GLN A 38 21.274 -14.897 0.351 1.00 1.00 H new ATOM 0 HB3 GLN A 38 20.836 -16.592 0.416 1.00 1.00 H new ATOM 0 HG2 GLN A 38 21.144 -16.326 -2.284 1.00 1.00 H new ATOM 0 HG3 GLN A 38 22.250 -15.075 -1.752 1.00 1.00 H new ATOM 0 HE21 GLN A 38 24.152 -15.983 -2.202 1.00 1.00 H new ATOM 0 HE22 GLN A 38 24.767 -17.472 -1.478 1.00 1.00 H new ATOM 625 N CYS A 39 18.805 -17.680 -0.185 1.00 1.00 N ATOM 626 CA CYS A 39 17.941 -18.748 0.288 1.00 1.00 C ATOM 627 C CYS A 39 18.456 -19.255 1.637 1.00 1.00 C ATOM 628 O CYS A 39 19.602 -19.723 1.692 1.00 1.00 O ATOM 629 CB CYS A 39 17.839 -19.874 -0.743 1.00 1.00 C ATOM 630 SG CYS A 39 16.926 -19.442 -2.254 1.00 1.00 S ATOM 0 H CYS A 39 19.706 -17.997 -0.543 1.00 1.00 H new ATOM 0 HA CYS A 39 16.932 -18.360 0.426 1.00 1.00 H new ATOM 0 HB2 CYS A 39 18.846 -20.186 -1.020 1.00 1.00 H new ATOM 0 HB3 CYS A 39 17.356 -20.733 -0.276 1.00 1.00 H new ATOM 636 N GLU A 40 17.613 -19.154 2.680 1.00 1.00 N ATOM 637 CA GLU A 40 17.980 -19.599 4.013 1.00 1.00 C ATOM 638 C GLU A 40 17.210 -20.877 4.351 1.00 1.00 C ATOM 639 O GLU A 40 16.084 -21.035 3.855 1.00 1.00 O ATOM 640 CB GLU A 40 17.725 -18.513 5.059 1.00 1.00 C ATOM 641 CG GLU A 40 18.276 -17.163 4.594 1.00 1.00 C ATOM 642 CD GLU A 40 18.462 -16.210 5.777 1.00 1.00 C ATOM 643 OE1 GLU A 40 18.938 -16.753 6.845 1.00 1.00 O ATOM 644 OE2 GLU A 40 18.160 -15.013 5.662 1.00 1.00 O ATOM 0 H GLU A 40 16.672 -18.765 2.613 1.00 1.00 H new ATOM 0 HA GLU A 40 19.049 -19.809 4.028 1.00 1.00 H new ATOM 0 HB2 GLU A 40 16.655 -18.428 5.246 1.00 1.00 H new ATOM 0 HB3 GLU A 40 18.192 -18.795 6.003 1.00 1.00 H new ATOM 0 HG2 GLU A 40 19.230 -17.310 4.088 1.00 1.00 H new ATOM 0 HG3 GLU A 40 17.595 -16.719 3.868 1.00 1.00 H new ATOM 651 N ARG A 41 17.819 -21.749 5.173 1.00 1.00 N ATOM 652 CA ARG A 41 17.194 -22.999 5.571 1.00 1.00 C ATOM 653 C ARG A 41 16.200 -22.730 6.702 1.00 1.00 C ATOM 654 O ARG A 41 16.524 -21.934 7.595 1.00 1.00 O ATOM 655 CB ARG A 41 18.230 -24.022 6.044 1.00 1.00 C ATOM 656 CG ARG A 41 18.223 -25.263 5.149 1.00 1.00 C ATOM 657 CD ARG A 41 19.627 -25.861 5.032 1.00 1.00 C ATOM 658 NE ARG A 41 20.253 -25.949 6.370 1.00 1.00 N ATOM 659 CZ ARG A 41 21.110 -25.031 6.866 1.00 1.00 C ATOM 660 NH1 ARG A 41 21.428 -23.967 6.116 1.00 1.00 N ATOM 661 NH2 ARG A 41 21.635 -25.182 8.090 1.00 1.00 N ATOM 0 H ARG A 41 18.747 -21.600 5.570 1.00 1.00 H new ATOM 0 HA ARG A 41 16.681 -23.412 4.702 1.00 1.00 H new ATOM 0 HB2 ARG A 41 19.222 -23.570 6.038 1.00 1.00 H new ATOM 0 HB3 ARG A 41 18.018 -24.310 7.074 1.00 1.00 H new ATOM 0 HG2 ARG A 41 17.540 -26.007 5.558 1.00 1.00 H new ATOM 0 HG3 ARG A 41 17.852 -25.000 4.158 1.00 1.00 H new ATOM 0 HD2 ARG A 41 19.573 -26.852 4.581 1.00 1.00 H new ATOM 0 HD3 ARG A 41 20.240 -25.245 4.374 1.00 1.00 H new ATOM 0 HE ARG A 41 20.023 -26.753 6.954 1.00 1.00 H new ATOM 0 HH11 ARG A 41 21.024 -23.860 5.185 1.00 1.00 H new ATOM 0 HH12 ARG A 41 22.074 -23.264 6.476 1.00 1.00 H new ATOM 0 HH21 ARG A 41 21.388 -25.995 8.654 1.00 1.00 H new ATOM 0 HH22 ARG A 41 22.282 -24.484 8.457 1.00 1.00 H new ATOM 675 N PHE A 42 15.028 -23.388 6.642 1.00 1.00 N ATOM 676 CA PHE A 42 13.999 -23.221 7.654 1.00 1.00 C ATOM 677 C PHE A 42 13.057 -24.426 7.621 1.00 1.00 C ATOM 678 O PHE A 42 12.949 -25.061 6.563 1.00 1.00 O ATOM 679 CB PHE A 42 13.227 -21.915 7.382 1.00 1.00 C ATOM 680 CG PHE A 42 12.052 -22.060 6.424 1.00 1.00 C ATOM 681 CD1 PHE A 42 12.276 -22.438 5.080 1.00 1.00 C ATOM 682 CD2 PHE A 42 10.731 -21.825 6.872 1.00 1.00 C ATOM 683 CE1 PHE A 42 11.189 -22.578 4.191 1.00 1.00 C ATOM 684 CE2 PHE A 42 9.644 -21.965 5.983 1.00 1.00 C ATOM 685 CZ PHE A 42 9.873 -22.341 4.642 1.00 1.00 C ATOM 0 H PHE A 42 14.781 -24.039 5.897 1.00 1.00 H new ATOM 0 HA PHE A 42 14.451 -23.160 8.644 1.00 1.00 H new ATOM 0 HB2 PHE A 42 12.859 -21.522 8.330 1.00 1.00 H new ATOM 0 HB3 PHE A 42 13.919 -21.177 6.978 1.00 1.00 H new ATOM 0 HD1 PHE A 42 13.282 -22.620 4.733 1.00 1.00 H new ATOM 0 HD2 PHE A 42 10.554 -21.537 7.898 1.00 1.00 H new ATOM 0 HE1 PHE A 42 11.364 -22.867 3.165 1.00 1.00 H new ATOM 0 HE2 PHE A 42 8.637 -21.784 6.329 1.00 1.00 H new ATOM 0 HZ PHE A 42 9.041 -22.447 3.961 1.00 1.00 H new ATOM 695 N LYS A 43 12.404 -24.711 8.762 1.00 1.00 N ATOM 696 CA LYS A 43 11.481 -25.829 8.863 1.00 1.00 C ATOM 697 C LYS A 43 10.062 -25.342 8.562 1.00 1.00 C ATOM 698 O LYS A 43 9.608 -24.400 9.227 1.00 1.00 O ATOM 699 CB LYS A 43 11.620 -26.517 10.222 1.00 1.00 C ATOM 700 CG LYS A 43 11.936 -25.500 11.321 1.00 1.00 C ATOM 701 CD LYS A 43 13.445 -25.401 11.559 1.00 1.00 C ATOM 702 CE LYS A 43 13.747 -25.000 13.004 1.00 1.00 C ATOM 703 NZ LYS A 43 15.191 -24.782 13.187 1.00 1.00 N ATOM 0 H LYS A 43 12.507 -24.174 9.623 1.00 1.00 H new ATOM 0 HA LYS A 43 11.721 -26.590 8.121 1.00 1.00 H new ATOM 0 HB2 LYS A 43 10.697 -27.044 10.463 1.00 1.00 H new ATOM 0 HB3 LYS A 43 12.411 -27.265 10.176 1.00 1.00 H new ATOM 0 HG2 LYS A 43 11.543 -24.523 11.041 1.00 1.00 H new ATOM 0 HG3 LYS A 43 11.437 -25.791 12.245 1.00 1.00 H new ATOM 0 HD2 LYS A 43 13.915 -26.359 11.338 1.00 1.00 H new ATOM 0 HD3 LYS A 43 13.877 -24.669 10.877 1.00 1.00 H new ATOM 0 HE2 LYS A 43 13.201 -24.091 13.257 1.00 1.00 H new ATOM 0 HE3 LYS A 43 13.402 -25.779 13.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 15.379 -24.510 14.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 15.705 -25.658 12.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 15.511 -24.023 12.552 1.00 1.00 H new ATOM 717 N TYR A 44 9.401 -25.983 7.581 1.00 1.00 N ATOM 718 CA TYR A 44 8.051 -25.565 7.243 1.00 1.00 C ATOM 719 C TYR A 44 7.063 -26.215 8.214 1.00 1.00 C ATOM 720 O TYR A 44 6.192 -26.961 7.745 1.00 1.00 O ATOM 721 CB TYR A 44 7.743 -25.932 5.780 1.00 1.00 C ATOM 722 CG TYR A 44 6.263 -25.907 5.421 1.00 1.00 C ATOM 723 CD1 TYR A 44 5.374 -25.083 6.149 1.00 1.00 C ATOM 724 CD2 TYR A 44 5.771 -26.698 4.358 1.00 1.00 C ATOM 725 CE1 TYR A 44 4.002 -25.054 5.818 1.00 1.00 C ATOM 726 CE2 TYR A 44 4.400 -26.669 4.027 1.00 1.00 C ATOM 727 CZ TYR A 44 3.513 -25.847 4.758 1.00 1.00 C ATOM 728 OH TYR A 44 2.185 -25.816 4.441 1.00 1.00 O ATOM 0 H TYR A 44 9.771 -26.761 7.034 1.00 1.00 H new ATOM 0 HA TYR A 44 7.956 -24.483 7.338 1.00 1.00 H new ATOM 0 HB2 TYR A 44 8.274 -25.241 5.126 1.00 1.00 H new ATOM 0 HB3 TYR A 44 8.136 -26.928 5.578 1.00 1.00 H new ATOM 0 HD1 TYR A 44 5.745 -24.474 6.960 1.00 1.00 H new ATOM 0 HD2 TYR A 44 6.447 -27.327 3.797 1.00 1.00 H new ATOM 0 HE1 TYR A 44 3.326 -24.424 6.377 1.00 1.00 H new ATOM 0 HE2 TYR A 44 4.028 -27.275 3.214 1.00 1.00 H new ATOM 0 HH TYR A 44 2.014 -26.419 3.687 1.00 1.00 H new ATOM 789 N ASN A 50 2.953 -20.478 3.652 1.00 1.00 N ATOM 790 CA ASN A 50 2.830 -19.591 2.507 1.00 1.00 C ATOM 791 C ASN A 50 3.487 -20.244 1.289 1.00 1.00 C ATOM 792 O ASN A 50 3.586 -21.479 1.264 1.00 1.00 O ATOM 793 CB ASN A 50 3.533 -18.257 2.766 1.00 1.00 C ATOM 794 CG ASN A 50 5.048 -18.394 2.595 1.00 1.00 C ATOM 795 OD1 ASN A 50 5.604 -19.479 2.601 1.00 1.00 O ATOM 796 ND2 ASN A 50 5.681 -17.234 2.444 1.00 1.00 N ATOM 0 HA ASN A 50 1.769 -19.411 2.332 1.00 1.00 H new ATOM 0 HB2 ASN A 50 3.153 -17.502 2.078 1.00 1.00 H new ATOM 0 HB3 ASN A 50 3.307 -17.912 3.775 1.00 1.00 H new ATOM 0 HD21 ASN A 50 6.694 -17.218 2.324 1.00 1.00 H new ATOM 0 HD22 ASN A 50 5.154 -16.361 2.449 1.00 1.00 H new ATOM 803 N MET A 51 3.917 -19.415 0.321 1.00 1.00 N ATOM 804 CA MET A 51 4.557 -19.909 -0.886 1.00 1.00 C ATOM 805 C MET A 51 6.031 -20.197 -0.595 1.00 1.00 C ATOM 806 O MET A 51 6.416 -21.375 -0.609 1.00 1.00 O ATOM 807 CB MET A 51 4.451 -18.872 -2.007 1.00 1.00 C ATOM 808 CG MET A 51 3.314 -19.219 -2.969 1.00 1.00 C ATOM 809 SD MET A 51 3.841 -20.538 -4.103 1.00 1.00 S ATOM 810 CE MET A 51 5.064 -19.631 -5.095 1.00 1.00 C ATOM 0 H MET A 51 3.827 -18.400 0.362 1.00 1.00 H new ATOM 0 HA MET A 51 4.057 -20.823 -1.204 1.00 1.00 H new ATOM 0 HB2 MET A 51 4.281 -17.884 -1.579 1.00 1.00 H new ATOM 0 HB3 MET A 51 5.393 -18.825 -2.554 1.00 1.00 H new ATOM 0 HG2 MET A 51 2.437 -19.540 -2.408 1.00 1.00 H new ATOM 0 HG3 MET A 51 3.024 -18.335 -3.536 1.00 1.00 H new ATOM 0 HE1 MET A 51 5.058 -20.011 -6.116 1.00 1.00 H new ATOM 0 HE2 MET A 51 4.813 -18.570 -5.101 1.00 1.00 H new ATOM 0 HE3 MET A 51 6.056 -19.766 -4.663 1.00 1.00 H new ATOM 820 N ASN A 52 6.814 -19.133 -0.341 1.00 1.00 N ATOM 821 CA ASN A 52 8.231 -19.271 -0.050 1.00 1.00 C ATOM 822 C ASN A 52 8.441 -20.461 0.889 1.00 1.00 C ATOM 823 O ASN A 52 8.353 -20.271 2.111 1.00 1.00 O ATOM 824 CB ASN A 52 8.775 -18.021 0.643 1.00 1.00 C ATOM 825 CG ASN A 52 10.277 -17.864 0.391 1.00 1.00 C ATOM 826 OD1 ASN A 52 10.889 -18.611 -0.354 1.00 1.00 O ATOM 827 ND2 ASN A 52 10.833 -16.854 1.053 1.00 1.00 N ATOM 0 H ASN A 52 6.477 -18.170 -0.334 1.00 1.00 H new ATOM 0 HA ASN A 52 8.756 -19.418 -0.994 1.00 1.00 H new ATOM 0 HB2 ASN A 52 8.247 -17.140 0.278 1.00 1.00 H new ATOM 0 HB3 ASN A 52 8.587 -18.084 1.715 1.00 1.00 H new ATOM 0 HD21 ASN A 52 11.831 -16.666 0.953 1.00 1.00 H new ATOM 0 HD22 ASN A 52 10.262 -16.267 1.661 1.00 1.00 H new ATOM 834 N ASN A 53 8.708 -21.645 0.310 1.00 1.00 N ATOM 835 CA ASN A 53 8.928 -22.851 1.089 1.00 1.00 C ATOM 836 C ASN A 53 9.423 -23.967 0.166 1.00 1.00 C ATOM 837 O ASN A 53 8.662 -24.916 -0.073 1.00 1.00 O ATOM 838 CB ASN A 53 7.631 -23.325 1.748 1.00 1.00 C ATOM 839 CG ASN A 53 7.784 -24.741 2.306 1.00 1.00 C ATOM 840 OD1 ASN A 53 6.939 -25.603 2.124 1.00 1.00 O ATOM 841 ND2 ASN A 53 8.906 -24.934 2.993 1.00 1.00 N ATOM 0 H ASN A 53 8.774 -21.780 -0.699 1.00 1.00 H new ATOM 0 HA ASN A 53 9.664 -22.624 1.861 1.00 1.00 H new ATOM 0 HB2 ASN A 53 7.357 -22.642 2.552 1.00 1.00 H new ATOM 0 HB3 ASN A 53 6.820 -23.303 1.020 1.00 1.00 H new ATOM 0 HD21 ASN A 53 9.101 -25.846 3.405 1.00 1.00 H new ATOM 0 HD22 ASN A 53 9.572 -24.170 3.108 1.00 1.00 H new ATOM 848 N PHE A 54 10.668 -23.833 -0.325 1.00 1.00 N ATOM 849 CA PHE A 54 11.256 -24.822 -1.212 1.00 1.00 C ATOM 850 C PHE A 54 11.771 -26.001 -0.384 1.00 1.00 C ATOM 851 O PHE A 54 11.884 -25.856 0.842 1.00 1.00 O ATOM 852 CB PHE A 54 12.403 -24.171 -2.010 1.00 1.00 C ATOM 853 CG PHE A 54 12.011 -22.914 -2.775 1.00 1.00 C ATOM 854 CD1 PHE A 54 12.054 -21.650 -2.142 1.00 1.00 C ATOM 855 CD2 PHE A 54 11.594 -23.006 -4.123 1.00 1.00 C ATOM 856 CE1 PHE A 54 11.686 -20.488 -2.853 1.00 1.00 C ATOM 857 CE2 PHE A 54 11.227 -21.844 -4.833 1.00 1.00 C ATOM 858 CZ PHE A 54 11.273 -20.584 -4.198 1.00 1.00 C ATOM 0 H PHE A 54 11.278 -23.043 -0.115 1.00 1.00 H new ATOM 0 HA PHE A 54 10.508 -25.190 -1.914 1.00 1.00 H new ATOM 0 HB2 PHE A 54 13.212 -23.924 -1.322 1.00 1.00 H new ATOM 0 HB3 PHE A 54 12.797 -24.902 -2.716 1.00 1.00 H new ATOM 0 HD1 PHE A 54 12.369 -21.574 -1.112 1.00 1.00 H new ATOM 0 HD2 PHE A 54 11.556 -23.969 -4.610 1.00 1.00 H new ATOM 0 HE1 PHE A 54 11.721 -19.524 -2.367 1.00 1.00 H new ATOM 0 HE2 PHE A 54 10.911 -21.918 -5.863 1.00 1.00 H new ATOM 0 HZ PHE A 54 10.992 -19.694 -4.742 1.00 1.00 H new ATOM 868 N GLU A 55 12.068 -27.126 -1.059 1.00 1.00 N ATOM 869 CA GLU A 55 12.566 -28.316 -0.390 1.00 1.00 C ATOM 870 C GLU A 55 14.051 -28.494 -0.713 1.00 1.00 C ATOM 871 O GLU A 55 14.555 -29.618 -0.569 1.00 1.00 O ATOM 872 CB GLU A 55 11.766 -29.559 -0.785 1.00 1.00 C ATOM 873 CG GLU A 55 10.354 -29.182 -1.236 1.00 1.00 C ATOM 874 CD GLU A 55 9.538 -30.429 -1.583 1.00 1.00 C ATOM 875 OE1 GLU A 55 9.471 -31.370 -0.779 1.00 1.00 O ATOM 876 OE2 GLU A 55 8.958 -30.397 -2.735 1.00 1.00 O ATOM 0 H GLU A 55 11.968 -27.224 -2.069 1.00 1.00 H new ATOM 0 HA GLU A 55 12.445 -28.189 0.686 1.00 1.00 H new ATOM 0 HB2 GLU A 55 12.280 -30.086 -1.589 1.00 1.00 H new ATOM 0 HB3 GLU A 55 11.711 -30.244 0.061 1.00 1.00 H new ATOM 0 HG2 GLU A 55 9.853 -28.623 -0.445 1.00 1.00 H new ATOM 0 HG3 GLU A 55 10.409 -28.526 -2.104 1.00 1.00 H new ATOM 883 N THR A 56 14.711 -27.401 -1.136 1.00 1.00 N ATOM 884 CA THR A 56 16.123 -27.437 -1.475 1.00 1.00 C ATOM 885 C THR A 56 16.615 -26.014 -1.742 1.00 1.00 C ATOM 886 O THR A 56 15.793 -25.166 -2.119 1.00 1.00 O ATOM 887 CB THR A 56 16.316 -28.381 -2.664 1.00 1.00 C ATOM 888 OG1 THR A 56 14.991 -28.651 -3.111 1.00 1.00 O ATOM 889 CG2 THR A 56 16.854 -29.750 -2.243 1.00 1.00 C ATOM 0 H THR A 56 14.277 -26.485 -1.248 1.00 1.00 H new ATOM 0 HA THR A 56 16.724 -27.825 -0.652 1.00 1.00 H new ATOM 0 HB THR A 56 17.000 -27.927 -3.381 1.00 1.00 H new ATOM 0 HG1 THR A 56 15.023 -29.255 -3.882 1.00 1.00 H new ATOM 0 HG21 THR A 56 16.973 -30.381 -3.124 1.00 1.00 H new ATOM 0 HG22 THR A 56 17.820 -29.626 -1.753 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.154 -30.219 -1.552 1.00 1.00 H new ATOM 897 N LEU A 57 17.926 -25.783 -1.546 1.00 1.00 N ATOM 898 CA LEU A 57 18.518 -24.474 -1.765 1.00 1.00 C ATOM 899 C LEU A 57 18.552 -24.179 -3.266 1.00 1.00 C ATOM 900 O LEU A 57 18.041 -23.124 -3.671 1.00 1.00 O ATOM 901 CB LEU A 57 19.889 -24.387 -1.091 1.00 1.00 C ATOM 902 CG LEU A 57 20.483 -22.983 -0.957 1.00 1.00 C ATOM 903 CD1 LEU A 57 19.822 -22.216 0.189 1.00 1.00 C ATOM 904 CD2 LEU A 57 22.004 -23.044 -0.804 1.00 1.00 C ATOM 0 H LEU A 57 18.587 -26.495 -1.236 1.00 1.00 H new ATOM 0 HA LEU A 57 17.909 -23.698 -1.301 1.00 1.00 H new ATOM 0 HB2 LEU A 57 19.811 -24.823 -0.095 1.00 1.00 H new ATOM 0 HB3 LEU A 57 20.589 -25.004 -1.655 1.00 1.00 H new ATOM 0 HG LEU A 57 20.274 -22.434 -1.875 1.00 1.00 H new ATOM 0 HD11 LEU A 57 20.262 -21.222 0.263 1.00 1.00 H new ATOM 0 HD12 LEU A 57 18.753 -22.126 -0.002 1.00 1.00 H new ATOM 0 HD13 LEU A 57 19.979 -22.753 1.125 1.00 1.00 H new ATOM 0 HD21 LEU A 57 22.401 -22.033 -0.711 1.00 1.00 H new ATOM 0 HD22 LEU A 57 22.257 -23.617 0.088 1.00 1.00 H new ATOM 0 HD23 LEU A 57 22.439 -23.525 -1.680 1.00 1.00 H new ATOM 916 N GLU A 58 19.142 -25.100 -4.048 1.00 1.00 N ATOM 917 CA GLU A 58 19.239 -24.939 -5.489 1.00 1.00 C ATOM 918 C GLU A 58 17.841 -24.704 -6.067 1.00 1.00 C ATOM 919 O GLU A 58 17.721 -23.917 -7.017 1.00 1.00 O ATOM 920 CB GLU A 58 19.907 -26.149 -6.146 1.00 1.00 C ATOM 921 CG GLU A 58 20.870 -25.710 -7.251 1.00 1.00 C ATOM 922 CD GLU A 58 21.525 -26.920 -7.920 1.00 1.00 C ATOM 923 OE1 GLU A 58 21.598 -28.000 -7.313 1.00 1.00 O ATOM 924 OE2 GLU A 58 21.967 -26.711 -9.113 1.00 1.00 O ATOM 0 H GLU A 58 19.557 -25.962 -3.694 1.00 1.00 H new ATOM 0 HA GLU A 58 19.867 -24.074 -5.703 1.00 1.00 H new ATOM 0 HB2 GLU A 58 20.448 -26.723 -5.394 1.00 1.00 H new ATOM 0 HB3 GLU A 58 19.145 -26.808 -6.563 1.00 1.00 H new ATOM 0 HG2 GLU A 58 20.331 -25.125 -7.997 1.00 1.00 H new ATOM 0 HG3 GLU A 58 21.639 -25.061 -6.832 1.00 1.00 H new ATOM 931 N GLU A 59 16.830 -25.378 -5.492 1.00 1.00 N ATOM 932 CA GLU A 59 15.457 -25.243 -5.946 1.00 1.00 C ATOM 933 C GLU A 59 14.962 -23.827 -5.644 1.00 1.00 C ATOM 934 O GLU A 59 14.379 -23.202 -6.543 1.00 1.00 O ATOM 935 CB GLU A 59 14.546 -26.291 -5.304 1.00 1.00 C ATOM 936 CG GLU A 59 13.523 -26.820 -6.311 1.00 1.00 C ATOM 937 CD GLU A 59 13.125 -28.260 -5.984 1.00 1.00 C ATOM 938 OE1 GLU A 59 12.345 -28.393 -4.965 1.00 1.00 O ATOM 939 OE2 GLU A 59 13.551 -29.195 -6.679 1.00 1.00 O ATOM 0 H GLU A 59 16.951 -26.021 -4.710 1.00 1.00 H new ATOM 0 HA GLU A 59 15.427 -25.414 -7.022 1.00 1.00 H new ATOM 0 HB2 GLU A 59 15.147 -27.117 -4.924 1.00 1.00 H new ATOM 0 HB3 GLU A 59 14.028 -25.854 -4.450 1.00 1.00 H new ATOM 0 HG2 GLU A 59 12.638 -26.184 -6.304 1.00 1.00 H new ATOM 0 HG3 GLU A 59 13.940 -26.774 -7.317 1.00 1.00 H new ATOM 946 N CYS A 60 15.198 -23.357 -4.407 1.00 1.00 N ATOM 947 CA CYS A 60 14.779 -22.029 -3.994 1.00 1.00 C ATOM 948 C CYS A 60 15.550 -20.982 -4.802 1.00 1.00 C ATOM 949 O CYS A 60 15.020 -19.877 -4.992 1.00 1.00 O ATOM 950 CB CYS A 60 14.962 -21.835 -2.487 1.00 1.00 C ATOM 951 SG CYS A 60 14.745 -20.128 -1.906 1.00 1.00 S ATOM 0 H CYS A 60 15.679 -23.888 -3.681 1.00 1.00 H new ATOM 0 HA CYS A 60 13.715 -21.908 -4.195 1.00 1.00 H new ATOM 0 HB2 CYS A 60 14.251 -22.475 -1.964 1.00 1.00 H new ATOM 0 HB3 CYS A 60 15.960 -22.174 -2.210 1.00 1.00 H new ATOM 957 N LYS A 61 16.764 -21.344 -5.253 1.00 1.00 N ATOM 958 CA LYS A 61 17.596 -20.442 -6.031 1.00 1.00 C ATOM 959 C LYS A 61 17.107 -20.428 -7.481 1.00 1.00 C ATOM 960 O LYS A 61 16.914 -19.332 -8.028 1.00 1.00 O ATOM 961 CB LYS A 61 19.073 -20.814 -5.883 1.00 1.00 C ATOM 962 CG LYS A 61 19.492 -20.821 -4.412 1.00 1.00 C ATOM 963 CD LYS A 61 20.747 -19.974 -4.196 1.00 1.00 C ATOM 964 CE LYS A 61 20.667 -19.201 -2.878 1.00 1.00 C ATOM 965 NZ LYS A 61 21.509 -19.839 -1.854 1.00 1.00 N ATOM 0 H LYS A 61 17.181 -22.259 -5.086 1.00 1.00 H new ATOM 0 HA LYS A 61 17.509 -19.423 -5.655 1.00 1.00 H new ATOM 0 HB2 LYS A 61 19.250 -21.797 -6.320 1.00 1.00 H new ATOM 0 HB3 LYS A 61 19.688 -20.104 -6.437 1.00 1.00 H new ATOM 0 HG2 LYS A 61 18.679 -20.436 -3.797 1.00 1.00 H new ATOM 0 HG3 LYS A 61 19.680 -21.845 -4.088 1.00 1.00 H new ATOM 0 HD2 LYS A 61 21.627 -20.617 -4.192 1.00 1.00 H new ATOM 0 HD3 LYS A 61 20.866 -19.276 -5.025 1.00 1.00 H new ATOM 0 HE2 LYS A 61 20.990 -18.172 -3.033 1.00 1.00 H new ATOM 0 HE3 LYS A 61 19.633 -19.162 -2.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 21.789 -19.132 -1.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 20.975 -20.602 -1.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 22.360 -20.235 -2.302 1.00 1.00 H new ATOM 979 N ASN A 62 16.921 -21.625 -8.065 1.00 1.00 N ATOM 980 CA ASN A 62 16.460 -21.748 -9.438 1.00 1.00 C ATOM 981 C ASN A 62 15.182 -20.927 -9.618 1.00 1.00 C ATOM 982 O ASN A 62 15.083 -20.200 -10.618 1.00 1.00 O ATOM 983 CB ASN A 62 16.138 -23.204 -9.782 1.00 1.00 C ATOM 984 CG ASN A 62 16.295 -23.461 -11.282 1.00 1.00 C ATOM 985 OD1 ASN A 62 16.599 -22.573 -12.061 1.00 1.00 O ATOM 986 ND2 ASN A 62 16.072 -24.721 -11.641 1.00 1.00 N ATOM 0 H ASN A 62 17.086 -22.516 -7.597 1.00 1.00 H new ATOM 0 HA ASN A 62 17.253 -21.389 -10.093 1.00 1.00 H new ATOM 0 HB2 ASN A 62 16.799 -23.868 -9.225 1.00 1.00 H new ATOM 0 HB3 ASN A 62 15.119 -23.437 -9.474 1.00 1.00 H new ATOM 0 HD21 ASN A 62 16.152 -24.994 -12.621 1.00 1.00 H new ATOM 0 HD22 ASN A 62 15.821 -25.415 -10.937 1.00 1.00 H new ATOM 993 N ILE A 63 14.243 -21.055 -8.663 1.00 1.00 N ATOM 994 CA ILE A 63 12.986 -20.330 -8.716 1.00 1.00 C ATOM 995 C ILE A 63 13.233 -18.861 -8.365 1.00 1.00 C ATOM 996 O ILE A 63 12.863 -17.993 -9.168 1.00 1.00 O ATOM 997 CB ILE A 63 11.939 -21.006 -7.828 1.00 1.00 C ATOM 998 CG1 ILE A 63 11.414 -22.288 -8.478 1.00 1.00 C ATOM 999 CG2 ILE A 63 10.809 -20.037 -7.477 1.00 1.00 C ATOM 1000 CD1 ILE A 63 12.279 -23.491 -8.096 1.00 1.00 C ATOM 0 H ILE A 63 14.343 -21.659 -7.847 1.00 1.00 H new ATOM 0 HA ILE A 63 12.577 -20.352 -9.726 1.00 1.00 H new ATOM 0 HB ILE A 63 12.419 -21.293 -6.892 1.00 1.00 H new ATOM 0 HG12 ILE A 63 10.384 -22.463 -8.166 1.00 1.00 H new ATOM 0 HG13 ILE A 63 11.404 -22.173 -9.562 1.00 1.00 H new ATOM 0 HG21 ILE A 63 10.079 -20.543 -6.845 1.00 1.00 H new ATOM 0 HG22 ILE A 63 11.218 -19.179 -6.943 1.00 1.00 H new ATOM 0 HG23 ILE A 63 10.324 -19.697 -8.392 1.00 1.00 H new ATOM 0 HD11 ILE A 63 11.884 -24.389 -8.571 1.00 1.00 H new ATOM 0 HD12 ILE A 63 13.303 -23.324 -8.431 1.00 1.00 H new ATOM 0 HD13 ILE A 63 12.267 -23.618 -7.014 1.00 1.00 H new ATOM 1012 N CYS A 64 13.845 -18.617 -7.192 1.00 1.00 N ATOM 1013 CA CYS A 64 14.138 -17.267 -6.743 1.00 1.00 C ATOM 1014 C CYS A 64 15.389 -16.756 -7.460 1.00 1.00 C ATOM 1015 O CYS A 64 15.245 -16.119 -8.515 1.00 1.00 O ATOM 1016 CB CYS A 64 14.290 -17.212 -5.221 1.00 1.00 C ATOM 1017 SG CYS A 64 12.913 -17.947 -4.291 1.00 1.00 S ATOM 0 H CYS A 64 14.142 -19.347 -6.545 1.00 1.00 H new ATOM 0 HA CYS A 64 13.303 -16.614 -6.996 1.00 1.00 H new ATOM 0 HB2 CYS A 64 15.212 -17.723 -4.943 1.00 1.00 H new ATOM 0 HB3 CYS A 64 14.400 -16.171 -4.918 1.00 1.00 H new ATOM 0 HG CYS A 64 11.785 -17.503 -4.762 1.00 1.00 H new ATOM 1023 N GLU A 65 16.571 -17.038 -6.885 1.00 1.00 N ATOM 1024 CA GLU A 65 17.832 -16.610 -7.466 1.00 1.00 C ATOM 1025 C GLU A 65 17.698 -16.565 -8.989 1.00 1.00 C ATOM 1026 O GLU A 65 18.292 -15.670 -9.608 1.00 1.00 O ATOM 1027 CB GLU A 65 18.985 -17.523 -7.043 1.00 1.00 C ATOM 1028 CG GLU A 65 19.642 -17.017 -5.758 1.00 1.00 C ATOM 1029 CD GLU A 65 21.168 -17.077 -5.862 1.00 1.00 C ATOM 1030 OE1 GLU A 65 21.704 -17.836 -6.682 1.00 1.00 O ATOM 1031 OE2 GLU A 65 21.800 -16.297 -5.052 1.00 1.00 O ATOM 0 H GLU A 65 16.667 -17.563 -6.016 1.00 1.00 H new ATOM 0 HA GLU A 65 18.066 -15.612 -7.096 1.00 1.00 H new ATOM 0 HB2 GLU A 65 18.614 -18.537 -6.891 1.00 1.00 H new ATOM 0 HB3 GLU A 65 19.727 -17.571 -7.840 1.00 1.00 H new ATOM 0 HG2 GLU A 65 19.327 -15.992 -5.564 1.00 1.00 H new ATOM 0 HG3 GLU A 65 19.308 -17.619 -4.913 1.00 1.00 H new ATOM 1038 N ASP A 66 16.934 -17.517 -9.555 1.00 1.00 N ATOM 1039 CA ASP A 66 16.726 -17.585 -10.991 1.00 1.00 C ATOM 1040 C ASP A 66 18.074 -17.464 -11.703 1.00 1.00 C ATOM 1041 O ASP A 66 18.538 -16.331 -11.901 1.00 1.00 O ATOM 1042 CB ASP A 66 15.832 -16.440 -11.473 1.00 1.00 C ATOM 1043 CG ASP A 66 16.396 -15.037 -11.241 1.00 1.00 C ATOM 1044 OD1 ASP A 66 16.161 -14.541 -10.073 1.00 1.00 O ATOM 1045 OD2 ASP A 66 17.029 -14.448 -12.130 1.00 1.00 O ATOM 0 H ASP A 66 16.454 -18.246 -9.028 1.00 1.00 H new ATOM 0 HA ASP A 66 16.246 -18.537 -11.218 1.00 1.00 H new ATOM 0 HB2 ASP A 66 15.646 -16.569 -12.539 1.00 1.00 H new ATOM 0 HB3 ASP A 66 14.868 -16.515 -10.970 1.00 1.00 H new